SCHEMBL40096

SCHEMBL40096

CN(C)C(=O)C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.52
TSHR P16473 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRA6 Q16445 2/20 0.52
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRE P78334 1/20 0.52
PMP22 Q01453 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52
GABRG3 Q99928 1/20 0.52
GABRQ Q9UN88 1/20 0.52
GLI1 P08151 1/20 0.48
CYP2D6 P10635 2/20 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
SCHEMBL3902884 0.98 GABRA1 (0.50) GABRA1TSHRGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL27633583 0.98 GABRA1 (0.50) GABRA1TSHRGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL1018967 0.98 GABRA1 (0.50) GABRA1TSHRGABRG2GABRB3GABRA5
Trifluoroacetic Acid SCHEMBL17372956 0.87 GABRP (0.45) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL2146012 0.86 GABRA5 (0.43) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL2672481 0.86 GABRA5 (0.43) GABRA1TSHRGABRG2GABRB3GABRA5
SCHEMBL2148728 0.86 GABRA5 (0.43) GABRA1TSHRGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL2146778 0.85 GABRA5 (0.41) GABRA1TSHRGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL2146165 0.85 GABRA5 (0.41) GABRA1TSHRGABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL1464969 0.85 GABRA5 (0.41) GABRA1TSHRGABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112334475-B BCL6 inhibitors 癌症研究技术有限公司 2024-10-29 CN claimed
EP-4426284-A1 BENZODIOXANE MODULATORS OF LEUKOTRIENE A4 HYDROLASE (LTA4H) FOR PREVENTION AND TREATMENT OF AGING-ASSOCIATED DISEASES Alkahest, Inc. (US) 2024-09-11 EP claimed
WO-2024114814-A1 JAK INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS ONQUALITY PHARMACEUTICALS CHINA LTD (CN) 2024-06-06 WO claimed
EP-3630749-B9 2-QUINOLONE DERIVED INHIBITORS OF BCL6 CANCER RESEARCH TECH LTD (GB) 2024-05-29 EP claimed
CN-111163839-B Benzimidazolone-derived BCL6 inhibitors 癌症研究科技有限公司 2024-05-28 CN claimed
CN-117729916-A Benzodioxane modulators of leukotriene A4 hydrolase (LTA 4H) for the prevention and treatment of aging-related diseases 万能溶剂有限公司 2024-03-19 CN claimed
EP-3630749-B1 2-QUINOLONE DERIVED INHIBITORS OF BCL6 CANCER RESEARCH TECH LTD (GB) 2024-01-10 EP claimed
WO-2023076679-A1 BENZODIOXANE MODULATORS OF LEUKOTRIENE A4 HYDROLASE (LTA4H) FOR PREVENTION AND TREATMENT OF AGING-ASSOCIATED DISEASES ALKAHEST, INC. (US) 2023-05-04 WO claimed
CN-115835908-A Bicyclic heterocycles as FGFR inhibitors 因赛特公司 2023-03-21 CN claimed
CN-114945562-A Bicyclic compounds and uses thereof 爱思开生物制药株式会社 2022-08-26 CN claimed
EP-1212318-B1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2006-01-25 EP claimed
US-20050222206-A1 Pyridinoylpiperidines as 5-ht1f agonists ELI LILLY AND COMPANY 2005-10-06 US claimed
US-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-13 US claimed
EP-1492786-A1 PYRIDINOYLPIPERIDINES AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2005-01-05 EP claimed
US-6794395-B1 Substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-21 US claimed
WO-2003084949-A1 PYRIDINOYLPIPERIDINES AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2003-10-16 WO claimed
EP-0536151-B1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM BOOTS CO PLC (GB) 1994-09-14 EP claimed
US-5302720-A Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents THE BOOTS COMPANY (GB) 1994-04-12 US claimed
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP claimed
WO-1992000273-A1 ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM THE BOOTS COMPANY PLC (GB) 1992-01-09 WO claimed

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

For each of this compound's patents that has machine-readable text (2 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-20050009898-A1 New substituted indolinones, their manufacture and their use as medicaments CCNE1, CDK1, CCNI GABRA1 3430/4885TSHR 928/4885GABRG2 3688/4885
US-20050222206-A1 Pyridinoylpiperidines as 5-ht1f agonists HTR1F, HTR1A, HTR1E GABRA1 955/4885TSHR 494/4885GABRG2 2208/4885

“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.