SCHEMBL36856

SCHEMBL36856

O=C1C=CC2(CCNCC2)C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.32
OPRM1 P35372 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
Hydrochloric Acid SCHEMBL7260312 0.98 NEK2 (0.31) NEK2
SCHEMBL17277743 0.81 NEK2 (0.31) NEK2
SCHEMBL15416446 0.79 NEK2 (0.35) NEK2OPRM1ALDH1A1
SCHEMBL2435959 0.77 POLB (0.32)
SCHEMBL14689547 0.74
SCHEMBL6113562 0.72
SCHEMBL14829982 0.71 NEK2 (0.42) NEK2OPRM1
SCHEMBL22829243 0.71
SCHEMBL16835486 0.67 DDB1 (0.31)
SCHEMBL8608569 0.67 ATM (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4003524-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARASITIC INFECTIONS Bayer Animal Health GmbH (DE) 2022-06-01 EP disclosed
EP-3818051-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AND ANALOGUES AS ANTIBACTERIALS AGENTS Bayer Aktiengesellschaft (DE) 2021-05-12 EP disclosed
EP-3818049-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AND ANALOGUES AS ANTIBACTERIALS AGENTS Bayer Aktiengesellschaft (DE) 2021-05-12 EP disclosed
EP-3818050-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AND ANALOGUES AS ANTIBACTERIALS AGENTS Bayer Aktiengesellschaft (DE) 2021-05-12 EP disclosed
EP-3774748-A1 OXADIAZOLINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-02-17 EP disclosed
WO-2021018839-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARASITIC INFECTIONS BAYER ANIMAL HEALTH GMBH (DE) 2021-02-04 WO disclosed
EP-3752492-A1 FUNGICIDAL OXADIAZOLES Bayer Aktiengesellschaft (DE) 2020-12-23 EP disclosed
WO-2020079173-A1 PYRIDYLPHENYLAMINOQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-23 WO disclosed
WO-2020007902-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AND ANALOGUES AS ANTIBACTERIALS AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-09 WO disclosed
WO-2020007904-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AND ANALOGUES AS ANTIBACTERIALS AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-09 WO disclosed
WO-2010063670-A1 SPIROHETEROCYCLIC N-OXYAMIDES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-10 WO disclosed
EP-1804794-A2 SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER S DISEASE Merck & Co., Inc. (US) 2007-07-11 EP disclosed
WO-2006044497-A2 SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER’S DISEASE MERCK & CO., INC. (US) 2006-04-27 WO disclosed
EP-0854869-B1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION LILLY CO ELI (US) 2004-08-25 EP disclosed
WO-2003099801-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-12-04 WO disclosed
US-6528534-B2 Useful as glycoprotein IIb/IIIa antagonists for prophylaxis thrombosis, therapy of atheroschlerosis, arterioschlerosis, acute myocardial infarction, chronic stable angina, unstable angina, transient ischemic attacks and strokes MILLENNIUM PHARMACEUTICALS, INC. 2003-03-04 US disclosed
US-20020013325-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation FISHER MATTHEW J (US) 2002-01-31 US disclosed
US-6291469-B1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation ELI LILLY AND COMPANY 2001-09-18 US disclosed
EP-0854869-A1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1998-07-29 EP disclosed
WO-1997011940-A1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1997-04-03 WO 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 (1 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-20020013325-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, SELP NEK2 1046/4885OPRM1 4512/4885ALDH1A1 248/4885

“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.