SCHEMBL473339

SCHEMBL473339

CCN(CC)C(=O)CCN

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.64
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.38
TSPO P30536 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
PTPN1 P18031 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL3199977 0.86 ALDH1A1 (0.50) LMNAMMP1MMP2MMP3MMP8
SCHEMBL31050951 0.85 LMNA (0.73) LMNAMMP1MMP2MMP3MMP8
SCHEMBL2327551 0.83 LMNA (0.78) LMNAMMP1MMP2MMP3MMP8
SCHEMBL2973041 0.81 LMNA (0.67) LMNACYP1A2ALDH1A1TSHRALOX15
SCHEMBL3205666 0.81 ALDH1A1 (0.53) LMNAMMP1MMP2MMP3MMP8
Stearic Acid SCHEMBL2153198 0.81 GPR84 (0.59) LMNAMMP2HSD17B10CYP1A2ALDH1A1
Behenic Acid SCHEMBL16107136 0.81 GPR84 (0.59) LMNAMMP2HSD17B10CYP1A2ALDH1A1
SCHEMBL3210666 0.80 ALDH1A1 (0.59) LMNAMMP1MMP2MMP3MMP8
Hydrochloric Acid SCHEMBL8356777 0.80 LMNA (0.64) LMNACYP1A2ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL8358577 0.80 LMNA (0.64) LMNACYP1A2ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848719-B1 [1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]-PIPERIDINE OR -PIPERAZINE COMPOUNDS AS SERINE-THREONINE KINASE MODULATORS (P70S6K, ATK1 AND ATK2) FOR THE TREATMENT OF IMMUNOLOGICAL, INFLAMMATORY AND PROLIFERATIVE DISEASES EXELIXIS INC (US) 2012-02-01 EP claimed
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 US claimed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US claimed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US claimed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US claimed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO claimed
EP-2729459-B1 SUBSTITUTED AZAHETEROCYCLES FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2018-08-22 EP disclosed
US-9199962-B2 Substituted azaheterocycles for the treatment of cancer MERCK PATENT GMBH (DE) 2015-12-01 US disclosed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20140221366-A1 Substituted Azaheterocycles for the Treatment of Cancer MERCK PATENT GMBH (DE) 2014-08-07 US disclosed
EP-2729459-A1 SUBSTITUTED AZAHETEROCYCLES FOR THE TREATMENT OF CANCER Merck Patent GmbH (DE) 2014-05-14 EP disclosed
WO-2013004332-A1 SUBSTITUTED AZAHETEROCYCLES FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2013-01-10 WO disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-5457105-A anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) ZENECA LIMITED (GB) 1995-10-10 US disclosed
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 EP disclosed
US-5229418-A Histamine H-2 receptor antagonists, antiulcer GLAXO GROUP LIMITED (GB) 1993-07-20 US disclosed
EP-0454469-A1 Carboxylic acid derivatives GLAXO GROUP LIMITED (GB) 1991-10-30 EP disclosed
US-4822529-A QUATERNARY AMMONIUM ALKYL PHOSPHATES TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 1989-04-18 US disclosed
US-4727177-A ANTISTATIC AGENTS TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 1988-02-23 US disclosed
EP-0240622-A1 Antistatic agents for synthetic fibers and methods for producing such agents Takemoto Yushi Kabushiki Kaisha (JP) 1987-10-14 EP 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 (5 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 LMNA 2367/4885MMP1 2726/4885MMP2 2416/4885
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases PDPK1, MTOR, RPS6KA2 LMNA 4117/4885MMP1 763/4885MMP2 802/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 LMNA 277/4885MMP1 777/4885MMP2 1316/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 LMNA 1884/4885MMP1 2180/4885MMP2 2453/4885
US-20140221366-A1 Substituted Azaheterocycles for the Treatment of Cancer CCNH, CCNA1, MYC LMNA 3137/4885MMP1 3807/4885MMP2 3797/4885

“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.