SCHEMBL2379006

SCHEMBL2379006

O=C(O)CCCCc1c[nH]c2ccccc12

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 6/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
KDM4E B2RXH2 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MAPT P10636 3/20 0.58
GAA P10253 1/20 0.58
NAAA Q02083 1/20 0.57
HPGD P15428 3/20 0.57
RECQL P46063 3/20 0.57
HTT P42858 1/20 0.57
PDPK1 O15530 1/20 0.57
APAF1 O14727 1/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL27531911 0.98 MEN1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1305574 0.98 MEN1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL29608427 0.95 MEN1 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL29363142 0.95 MEN1 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL35884 0.95 MEN1 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL27551570 0.95 MEN1 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
Lithium SCHEMBL3886262 0.94 MEN1 (0.66) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3886256 0.94 MEN1 (0.66) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3886762 0.94 MEN1 (0.66) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
Ammonia Solution, Strong SCHEMBL28825522 0.94 MEN1 (0.66) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348354-B2 Cyclohexylurea compounds GRUENENTHAL GMBH (DE) 2008-03-25 US claimed
EP-1560809-B1 CYCLOHEXYLUREA DERIVATIVES GRUENENTHAL GMBH (DE) 2007-08-22 EP claimed
US-7173045-B2 4-aminomethyl-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2007-02-06 US claimed
US-20050261358-A1 antinociceptive agent of opioid-receptor for treating pain; tert-aminecyclohexyl-urea, or -thiourea, or -amide derivatives; 1-(4-dimethylamino-4-phenylcyclohexyl)-3-(3-phenylpropyl)urea hydrochloride; stereoisomers; racemic mixtures GRUENENTHAL GMBH (DE) 2005-11-24 US claimed
US-20050245593-A1 4-Aminomethyl-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2005-11-03 US claimed
US-8017630-B2 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2011-09-13 US disclosed
EP-1751093-B1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2010-10-06 EP disclosed
US-7348354-B2 Cyclohexylurea compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
EP-1560809-B1 CYCLOHEXYLUREA DERIVATIVES GRUENENTHAL GMBH (DE) 2007-08-22 EP disclosed
US-20070129347-A1 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2007-06-07 US disclosed
US-7173045-B2 4-aminomethyl-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2007-02-06 US disclosed
US-20050261358-A1 antinociceptive agent of opioid-receptor for treating pain; tert-aminecyclohexyl-urea, or -thiourea, or -amide derivatives; 1-(4-dimethylamino-4-phenylcyclohexyl)-3-(3-phenylpropyl)urea hydrochloride; stereoisomers; racemic mixtures GRUENENTHAL GMBH (DE) 2005-11-24 US disclosed
US-20050245593-A1 4-Aminomethyl-1-aryl-cyclohexylamine compounds GRUENENTHAL GMBH (DE) 2005-11-03 US disclosed
US-6936586-B1 Synthetic IL-10 analogues STEENO RESEARCH GROUP A/S (DK) 2005-08-30 US disclosed
EP-1560809-A1 CYCLOHEXYLUREA DERIVATIVES Grünenthal GmbH (DE) 2005-08-10 EP disclosed
WO-2004043909-A1 CYCLOHEXYLUREA DERIVATIVES Grünenthal GmbH (DE) 2004-05-27 WO disclosed
EP-0516849-B1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 1995-01-25 EP disclosed
US-5283251-A Testosterone 5a-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-01 US disclosed
EP-0516849-A1 INDOLE DERIVATIVES. FUJISAWA PHARMACEUTICAL CO (JP) 1992-12-09 EP disclosed
WO-1991013060-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-05 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 (3 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-20070129347-A1 Cyclohexylacetic acid compounds ACACA, HCAR2, PCCA MEN1 2416/4885KMT2A 2621/4885ALDH1A1 168/4885
US-20050245593-A1 4-Aminomethyl-1-aryl-cyclohexylamine compounds HNMT, PNMT, INMT MEN1 851/4885KMT2A 295/4885ALDH1A1 718/4885
US-20050261358-A1 antinociceptive agent of opioid-receptor for treating pain; tert-aminecyclohexyl-urea, or -thiourea, or -amide derivatives; 1-(4-dimethylamino-4-phenylcyclohexyl)-3-(3-phenylpropyl)urea hydrochloride; stereoisomers; racemic mixtures OPRL1, OPRM1, OGFRL1 MEN1 4861/4885KMT2A 4199/4885ALDH1A1 718/4885

“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.