SCHEMBL42218

SCHEMBL42218

c1ccc(CN2CCC[N]CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.61
MC4R P32245 1/20 0.52
CYP3A4 P08684 2/20 0.51
HSD17B10 Q99714 1/20 0.51
HRH3 Q9Y5N1 2/20 0.50
DRD4 P21917 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
ACHE P22303 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
CCR3 P51677 1/20 0.47

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
SCHEMBL41501 0.92 SIGMAR1 (0.71) SIGMAR1MC4RCYP3A4HSD17B10DRD4
SCHEMBL2098145 0.84 SIGMAR1 (0.64) SIGMAR1ALDH1A1PRMT6
SCHEMBL2088672 0.84 ALDH1A1 (0.67) SIGMAR1HRH3POLBALDH1A1
SCHEMBL2779057 0.82 SLC6A3 (0.70) SIGMAR1CYP3A4HRH3ACHECYP1A2
SCHEMBL2094575 0.82 HRH3 (0.52) HRH3ALDH1A1
SCHEMBL2095383 0.82 ALDH1A1 (0.54) HRH3CYP2D6CYP2C19ALDH1A1
SCHEMBL2088589 0.82 HRH3 (0.52) SIGMAR1HRH3CYP2D6CYP2C19ALDH1A1
SCHEMBL2092380 0.82 ALDH1A1 (0.56) HRH3LMNAPOLBALDH1A1
SCHEMBL2228267 0.82 SIGMAR1 (0.81) SIGMAR1MC4RCYP3A4HSD17B10HRH3
SCHEMBL329650 0.82 SIGMAR1 (0.81) SIGMAR1MC4RCYP3A4HSD17B10HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
US-5591737-A ELASTASE INHIBITORS MERCK & CO., INC. (US) 1997-01-07 US claimed
WO-1994010142-A1 NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1994-05-11 WO claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS INC (US) 2023-04-20 US disclosed
US-11628160-B2 Compositions and methods for treating brain injury AZEVAN PHARMACEUTICALS, INC. (US) 2023-04-18 US disclosed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US disclosed
US-10953001-B2 Methods for treating post traumatic stress disorder AZEVAN PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
WO-2021006267-A1 SALT OF PYRAZOLE DERIVATIVE AND PREPARATION OF PYRAZOLE DERIVATIVE グリーン・テック株式会社 2021-01-14 WO disclosed
EP-3351104-B1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER AZEVAN PHARMACEUTICALS INC (US) 2020-12-09 EP disclosed
WO-2020235582-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR MOTOR NEURON DISEASE グリーン・テック株式会社 (JP) 2020-11-26 WO disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
WO-2005035492-A1 3-SUBSTITUTED β-LACTAMYL VASOPRESSIN V1A ANTAGONISTS SERENIX PHARMACEUTICALS, LLC. (US) 2005-04-21 WO disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP disclosed
US-5358949-A Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-25 US disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 EP disclosed
US-4317823-A FOR TREATMENT OF GASTROINTESTINAL DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-03-02 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 (6 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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT SIGMAR1 3525/4885MC4R 3880/4885CYP3A4 4138/4885
US-10953001-B2 Methods for treating post traumatic stress disorder GPX4, CRH, TXN SIGMAR1 711/4885MC4R 2479/4885CYP3A4 4142/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B SIGMAR1 502/4885MC4R 154/4885CYP3A4 4834/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B SIGMAR1 502/4885MC4R 154/4885CYP3A4 4834/4885
US-11628160-B2 Compositions and methods for treating brain injury FABP7, PYGB, CHAT SIGMAR1 3525/4885MC4R 3880/4885CYP3A4 4138/4885
US-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR SIGMAR1 12/4885MC4R 7/4885CYP3A4 1991/4885

“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.