SCHEMBL1305076

SCHEMBL1305076

N#CC1(N)CCC(=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 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
SCHEMBL9035484 0.76 OPRM1 (0.36) MEN1KMT2A
SCHEMBL696010 0.74
SCHEMBL22885170 0.74 MEN1 (0.34) MEN1CYP2C9KMT2ATRIM24TRIM33
Hydrochloric Acid SCHEMBL1201605 0.72 ALDH1A1 (0.30)
Hydrochloric Acid SCHEMBL345144 0.72
SCHEMBL2106510 0.70 CYP11B2 (0.36) MEN1CYP2C9KMT2ATRIM24TRIM33
Hydrochloric Acid SCHEMBL1273427 0.69
SCHEMBL75984 0.69
SCHEMBL1139426 0.69
SCHEMBL18635870 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487778-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOLS GRUENENTHAL GMBH (DE) 2012-07-11 EP claimed
US-7678834-B2 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2010-03-16 US claimed
EP-1406858-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOLS GRUENENTHAL GMBH (DE) 2009-07-01 EP claimed
EP-1406859-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES GRUENENTHAL GMBH (DE) 2008-01-02 EP claimed
US-7276518-B2 Substituted cyclohexane-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-10-02 US claimed
EP-1385825-B1 SUBSTITUTED 2-PYRIDINE-CYCLOHEXANE-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-08-15 EP claimed
US-7211694-B2 Substituted 4-aminocyclohexanols GRUENENTHAL GMBH (DE) 2007-05-01 US claimed
EP-1392641-B1 SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-04-11 EP claimed
US-7183436-B2 Substituted 4-aminocyclohexanols GRUENENTHAL GMBH (DE) 2007-02-27 US claimed
US-20050187220-A1 Substituted 4-aminocyclohexanols GRUENENTHAL GMBH (DE) 2005-08-25 US claimed
US-20040236104-A1 Substituted 4-aminocyclohexanols GRUENENTHAL GMBH (DE) 2004-11-25 US claimed
US-20040214822-A1 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2004-10-28 US claimed
CN-1533374-A Substitutled cyclohexane-1,4-diamine derivatives 2004-09-29 CN claimed
US-20040162287-A1 Substituted cyclohexane-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2004-08-19 US claimed
US-9862719-B2 Process or preparing spirocyclic cyclohexane compounds, compositions containing such compounds and method of using such compounds GRUENENTHAL GMBH (DE) 2018-01-09 US disclosed
US-20150322080-A1 Process for Preparing Spirocyclic Cyclohexane Compounds, Compositions Containing Such Compounds and Method of Using Such Compounds ADNEURIS THERAPEUTICS, INC. 2015-11-12 US disclosed
US-9120797-B2 Process for preparing spirocyclic cyclohexane compounds, compositions containing such compounds and method of using such compounds GRUENENTHAL GMBH (DE) 2015-09-01 US disclosed
US-4212878-A Phenylacetamide derivative analgesics THE UPJOHN COMPANY (US) 1980-07-15 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 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-20040214822-A1 Substituted 4-aminocyclohexanol compounds ADRA2C, OPRD1, OPRK1 MEN1 2907/4885CYP2C9 56/4885KMT2A 3124/4885
US-20040162287-A1 Substituted cyclohexane-1,4-diamine compounds DPYD, DDC, QDPR MEN1 1475/4885CYP2C9 110/4885KMT2A 2496/4885
US-20050187220-A1 Substituted 4-aminocyclohexanols ADRA2C, OPRK1, OPRD1 MEN1 3383/4885CYP2C9 43/4885KMT2A 2824/4885
US-20150322080-A1 Process for Preparing Spirocyclic Cyclohexane Compounds, Compositions Containing Such Compounds and Method of Using Such Compounds PKD1, VKORC1, PKD2 MEN1 740/4885CYP2C9 63/4885KMT2A 4429/4885
US-20040236104-A1 Substituted 4-aminocyclohexanols CNR2, OPRK1, OPRL1 MEN1 3028/4885CYP2C9 386/4885KMT2A 3084/4885

“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.