SCHEMBL6946412

SCHEMBL6946412

c1ccc(CNCC2CCNCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.60
WDR77 Q9BQA1 1/20 0.60
CXCR4 P61073 3/20 0.59
GBA1 P04062 1/20 0.59
KDM1A O60341 3/20 0.50
MAOB P27338 2/20 0.50
MAN1B1 Q9UKM7 1/20 0.50
MAOA P21397 1/20 0.50
HTR2C P28335 1/20 0.47
HTR2A P28223 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL11908903 0.90 CXCR4 (0.53) PRMT5WDR77CXCR4GBA1KDM1A
SCHEMBL13832686 0.90 CXCR4 (0.53) PRMT5WDR77CXCR4GBA1KDM1A
SCHEMBL2934330 0.87 CXCR4 (0.69) CXCR4MAN1B1MAOAHTR2CHTR2A
SCHEMBL16083006 0.87 CXCR4 (0.69) CXCR4MAN1B1MAOAHTR2CHTR2A
SCHEMBL20325075 0.86 PRMT5 (0.55) PRMT5WDR77CXCR4GBA1KDM1A
SCHEMBL20324484 0.86 PRMT5 (0.55) PRMT5WDR77CXCR4GBA1KDM1A
SCHEMBL20325045 0.86 BCHE (0.61) PRMT5WDR77KDM1AMAOBMAOA
SCHEMBL20314107 0.84 PRMT5 (0.52) PRMT5WDR77CXCR4GBA1KDM1A
SCHEMBL4288126 0.84 CXCR4 (0.61) CXCR4MAN1B1HTR2CHTR2AHDAC3
SCHEMBL5519379 0.84 CXCR4 (0.61) CXCR4MAN1B1HTR2CHTR2AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283769-B Cyclobutane combination pyridine sulfonamide compound 绍兴市上虞区武汉理工大学高等研究院 2025-03-25 CN disclosed
CN-116283769-A Cyclobutane-pyridine sulfonamide compound 绍兴市上虞区武汉理工大学高等研究院 2023-06-23 CN disclosed
CN-111484444-B Synthesis method of N-benzyl-4-piperidine formaldehyde 常州大学 2021-07-30 CN disclosed
CN-111484444-A Synthesis method of N-benzyl-4-piperidine formaldehyde 常州大学 2020-08-04 CN disclosed
WO-2019018186-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2019-01-24 WO disclosed
EP-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 EP disclosed
US-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 US disclosed
EP-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 EP disclosed
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AVENTISUB II INC. 2003-06-05 US disclosed
US-6479487-B1 INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
US-5935973-A AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS KNOLL AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed
US-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 US disclosed
US-5849732-A Phenol compound having antioxidative activity and the process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1998-12-15 US disclosed
CN-1190967-A Heterocyclylcarboxamide derivatives and their use as therapeutic agents KNOLL AG (DE) 1998-08-19 CN disclosed
EP-0839145-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP disclosed
CN-1165815-A Phenol compound and process for preparing the same TANABE SEIYAKU CO (JP) 1997-11-26 CN disclosed
EP-0804434-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1997-11-05 EP disclosed
EP-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 EP disclosed
WO-1997003071-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed
WO-1996004274-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 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-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 PRMT5 716/4885WDR77 449/4885CXCR4 1646/4885

“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.