SCHEMBL433970

SCHEMBL433970

c1ccc(CNC2CCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.69
HRH3 Q9Y5N1 1/20 0.68
MEN1 O00255 1/20 0.63
RAB9A P51151 1/20 0.63
KMT2A Q03164 1/20 0.63
POLB P06746 1/20 0.63
BCHE P06276 2/20 0.62
ACHE P22303 2/20 0.62
BACE1 P56817 2/20 0.62
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
PKM P14618 1/20 0.61
FABP6 P51161 1/20 0.58
OPRM1 P35372 1/20 0.56
OPRL1 P41146 1/20 0.56
EPHX1 P07099 1/20 0.54
HPGD P15428 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
CARM1 Q86X55 1/20 0.54
PRMT6 Q96LA8 1/20 0.54

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 SCHEMBL11785266 0.98 GRIN2B (0.67) GRIN2BHRH3MEN1RAB9AKMT2A
SCHEMBL10789534 0.98 HRH3 (0.71) GRIN2BHRH3MEN1RAB9AKMT2A
SCHEMBL294763 0.98 HRH3 (0.71) GRIN2BHRH3MEN1RAB9AKMT2A
SCHEMBL1847296 0.98 HRH3 (0.71) GRIN2BHRH3MEN1RAB9AKMT2A
SCHEMBL24574127 0.98 HRH3 (0.71) GRIN2BHRH3MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL11782513 0.96 HRH3 (0.69) GRIN2BHRH3MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL11781778 0.96 HRH3 (0.69) GRIN2BHRH3MEN1RAB9AKMT2A
SCHEMBL2954218 0.96 GRIN2B (0.69) GRIN2BHRH3MEN1RAB9AKMT2A
SCHEMBL4173336 0.96 GRIN2B (0.69) GRIN2BHRH3MEN1RAB9AKMT2A
Bromide SCHEMBL18131548 0.94 HRH3 (0.67) GRIN2BHRH3MEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513227-A2 CATALYSTS FOR POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS Honeywell International Inc. (US) 2012-10-24 EP claimed
WO-2011084563-A2 CATALYSTS FOR POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS HONEYWELL INTERNATIONAL INC. (US) 2011-07-14 WO claimed
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 EP disclosed
EP-3938340-B1 HETEROAROMATIC AND HETEROBICYCLIC AROMATIC DERIVATIVES FOR THE TREATMENT OF FERROPTOSIS-RELATED DISORDERS COLLABORATIVE MEDICINAL DEV LLC (US) 2025-07-09 EP disclosed
WO-2024263563-A1 METABOTROPIC GLUTAMATE SUBTYPE-2 AND -3 RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2024-12-26 WO disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 WO disclosed
US-20240051974-A1 DIRECT REDUCTIVE AMINATIONS WITH MONOTRIFLUOROACETOXY BORANE-AMINES PURDUE RESEARCH FOUNDATION (US) 2024-02-15 US disclosed
US-11697634-B2 Method and mixture to form functionalized cyclic compounds NATIONAL TSING HUA UNIVERSITY (TW) 2023-07-11 US disclosed
US-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2023-06-08 US disclosed
US-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2023-06-08 US disclosed
US-20220144826-A1 Heteroaromatic and Heterobicyclic Aromatic Derivatives for the Treatment of Ferroptosis-Related Disorders COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2022-05-12 US disclosed
CN-1871012-A 7 and 8 membered heterocyclic cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO INC (US) 2006-11-29 CN disclosed
US-20060183731-A1 7 and 8 membered heterocyclic cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. 2006-08-17 US disclosed
CN-1247553-C 2-imino-1,3-thiazine derivs. SHIONOGI & CO (JP) 2006-03-29 CN disclosed
WO-2005111002-A2 SUBSTITUTED CYCLOALKYL DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
CN-1514831-A Medicinal composition containing 1,3-thiazine derivative ��Ұ����ҩ��ʽ���� 2004-07-21 CN disclosed
CN-1387519-A 2-imino-1, 3-thiazine derivatives SHIONOGI & CO (JP) 2002-12-25 CN disclosed
US-4048229-A ANTAGONIST ACTIVITY SMITHKLINE CORPORATION (US) 1977-09-13 US disclosed
US-3976694-A BETA-ADRENERGIC STIMULANT, BRONCHODILATOR SMITHKLINE CORPORATION (US) 1976-08-24 US disclosed
US-3961076-A BRONCHODILATORS SMITHKLINE CORPORATION (US) 1976-06-01 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 (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-11697634-B2 Method and mixture to form functionalized cyclic compounds BDKRB2, BDKRB1, CYP11B2 GRIN2B 48/4885HRH3 29/4885MEN1 284/4885
US-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS GPX4, GPX1, AIFM2 GRIN2B 3690/4885HRH3 4653/4885MEN1 2820/4885
US-20220144826-A1 Heteroaromatic and Heterobicyclic Aromatic Derivatives for the Treatment of Ferroptosis-Related Disorders AIFM2, FECH, SLC40A1 GRIN2B 1187/4885HRH3 303/4885MEN1 2006/4885
US-20240051974-A1 DIRECT REDUCTIVE AMINATIONS WITH MONOTRIFLUOROACETOXY BORANE-AMINES MAOB, BCAT2, AADAT GRIN2B 361/4885HRH3 766/4885MEN1 1199/4885
US-20060183731-A1 7 and 8 membered heterocyclic cyclopentyl benzylamide modulators of chemokine receptor activity CCR2, CCR6, CCR9 GRIN2B 2306/4885HRH3 112/4885MEN1 4173/4885

“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.