SCHEMBL648600

SCHEMBL648600

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc3ccc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3o2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.46
GPR119 Q8TDV5 10/20 0.43
SLC6A4 P31645 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
USP30 Q70CQ3 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PARP1 P09874 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL649203 0.95 HDAC4 (0.45) HDAC4GPR119SLC6A4HDAC6USP30
SCHEMBL647519 0.92 GPR119 (0.43) HDAC4GPR119HRH3PARP1CA12
SCHEMBL4449340 0.91 GPR119 (0.44) HDAC4GPR119USP30HRH3PARP1
SCHEMBL4408236 0.91 GPR119 (0.52) GPR119HRH3PARP1LMNAMAPT
SCHEMBL649869 0.90 HDAC4 (0.46) HDAC4GPR119SLC6A4HDAC6USP30
SCHEMBL649433 0.90 HDAC4 (0.46) HDAC4GPR119SLC6A4HDAC6USP30
SCHEMBL2504574 0.87 HDAC4 (0.46) HDAC4GPR119HDAC6HRH3PARP1
SCHEMBL648854 0.86 PRKAA2 (0.44) SLC6A4MAPT
SCHEMBL4405719 0.86 GPR119 (0.52) GPR119HRH3PARP1LMNAMAPT
SCHEMBL62615 0.86 HDAC4 (0.51) HDAC4GPR119HDAC6HRH3LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 246 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231600-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP claimed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US claimed
WO-2009065131-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-22 WO claimed
US-20250205204-A1 Transcription Factor Brn2 Inhibitory Compounds for Use as Therapeutics THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2025-06-26 US disclosed
US-12162820-B2 Peripheral alkyl and alkenyl chains extended benzene derivatives and pharmaceutical composition including the same TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2024-12-10 US disclosed
CN-113660932-B Phenyl derivatives having pendant alkyl and alkenyl extensions and pharmaceutical compositions comprising the same 景凯生物科技股份有限公司 2024-07-12 CN disclosed
WO-2024146619-A1 AURONE DERIVATIVE OR ANALOG, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 中国科学院上海药物研究所 2024-07-11 WO disclosed
CN-118307504-A Orange ketone derivative or analogue, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-07-09 CN disclosed
US-12006301-B1 And synthesis of dual 5-HT1A and 5-HT7 receptor ligands FLORIDA A&M UNIVERSITY (US) 2024-06-11 US disclosed
CN-115677635-B Orange ketone derivative and application thereof 中国科学院新疆理化技术研究所 2024-04-09 CN disclosed
WO-2024019957-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2024-01-25 WO disclosed
US-20070088004-A1 Monoamine oxidase-B inhibitors; , and/or cardiometabolic disorders ( hypertension, dyslipidemias, high blood pressure, and insulin resistance); JENRIN DISCOVERY, INC. 2007-04-19 US disclosed
US-20070088004-A1 Monoamine oxidase-B inhibitors; , and/or cardiometabolic disorders ( hypertension, dyslipidemias, high blood pressure, and insulin resistance); JENRIN DISCOVERY, INC. 2007-04-19 US disclosed
US-20070072926-A1 Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases ALLERGAN, INC. 2007-03-29 US disclosed
US-20070072926-A1 Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases ALLERGAN, INC. 2007-03-29 US disclosed
WO-2007001249-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES PHARMACOPEIA, INC. (US) 2007-01-04 WO disclosed
WO-2006008316-A2 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHESES Universität des Saarlandes (DE) 2006-01-26 WO disclosed
WO-2006002763-A2 SUBSTITUTED TETRAHYDROISOCHINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRAGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-12 WO disclosed
US-20050222203-A1 [4(2-methylamino-3-methyl)benzimidazol]1-[(4-carboxyethylamido-2,5-dimethyloxy)phenyl]ester; vitronectin receptor antagonist; endometriosis, restenosis following angioplasty, rheumatoid arthritis, cancer, macular degeneration and obesity; disruption of osteoclast adhesion PHARMACOPEIA, INC. (US) 2005-10-06 US disclosed
US-20050222203-A1 [4(2-methylamino-3-methyl)benzimidazol]1-[(4-carboxyethylamido-2,5-dimethyloxy)phenyl]ester; vitronectin receptor antagonist; endometriosis, restenosis following angioplasty, rheumatoid arthritis, cancer, macular degeneration and obesity; disruption of osteoclast adhesion PHARMACOPEIA, INC. (US) 2005-10-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050222203-A1 [4(2-methylamino-3-methyl)benzimidazol]1-[(4-carboxyethylamido-2,5-dimethyloxy)phenyl]ester; vitronectin receptor antagonist; endometriosis, restenosis following angioplasty, rheumatoid arthritis, cancer, macular degeneration and obesity; disruption of osteoclast adhesion MSR1, EDNRA, GPR174 HDAC4 1217/4885GPR119 9/4885SLC6A4 3784/4885
US-20070088004-A1 Monoamine oxidase-B inhibitors; , and/or cardiometabolic disorders ( hypertension, dyslipidemias, high blood pressure, and insulin resistance); MAOB, MAOA, APOB HDAC4 750/4885GPR119 4/4885SLC6A4 208/4885
US-12006301-B1 And synthesis of dual 5-HT1A and 5-HT7 receptor ligands HTR7, HTR1A, HTR5A HDAC4 4145/4885GPR119 440/4885SLC6A4 22/4885
US-20070072926-A1 Dextrorotatory and levo-rotatory enantiomers; specific to alpha2B adrenergic receptors; chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain and other diseases ADRA2A, ADRA2B, ADRB2 HDAC4 3959/4885GPR119 132/4885SLC6A4 642/4885
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HDAC4 550/4885GPR119 15/4885SLC6A4 2178/4885
US-12162820-B2 Peripheral alkyl and alkenyl chains extended benzene derivatives and pharmaceutical composition including the same AADAC, ENPP2, ATXN10 HDAC4 44/4885GPR119 1504/4885SLC6A4 2810/4885
US-20250205204-A1 Transcription Factor Brn2 Inhibitory Compounds for Use as Therapeutics BRDT, BRPF3, BRIX1 HDAC4 318/4885GPR119 1559/4885SLC6A4 4406/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.