SCHEMBL5164576

SCHEMBL5164576

COC(=O)C(Cc1c[nH]c2ccccc12)NC1CCC(c2ccccc2)(N(C)C)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.63
OPRM1 P35372 6/20 0.63
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HCRTR1 O43613 1/20 0.51
KCNA5 P22460 2/20 0.50
KCNH2 Q12809 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 1/20 0.47
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47

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 SCHEMBL5165390 0.99 OPRL1 (0.62) OPRL1OPRM1KMT2AMEN1HCRTR1
SCHEMBL5163884 0.92 OPRL1 (0.65) OPRL1OPRM1
SCHEMBL6551984 0.92 OPRL1 (0.65) OPRL1OPRM1
SCHEMBL6729772 0.92 OPRL1 (0.65) OPRL1OPRM1
Hydrochloric Acid SCHEMBL6729807 0.91 OPRL1 (0.64) OPRL1OPRM1
Hydrochloric Acid SCHEMBL6729815 0.91 OPRL1 (0.64) OPRL1OPRM1
SCHEMBL3791866 0.91 OPRL1 (0.63) OPRL1OPRM1MAPT
SCHEMBL3777996 0.91 OPRL1 (0.63) OPRL1OPRM1
SCHEMBL3782709 0.91 OPRL1 (0.63) OPRL1OPRM1
SCHEMBL4125842 0.91 OPRL1 (0.63) OPRL1OPRM1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276518-B2 Substituted cyclohexane-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-10-02 US disclosed
EP-1392641-B1 SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-04-11 EP disclosed
US-20040229872-A1 Substituted cyclohexane-1,4-diamine compounds with anti-diarrhea and peripheral analgesic activity GRUENENTHAL GMBH (DE) 2004-11-18 US disclosed
US-20040162287-A1 Substituted cyclohexane-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2004-08-19 US disclosed
EP-1392641-A1 SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2004-03-03 EP disclosed
EP-1385493-A1 SUBSTITUTED CYCLOHEXAN-1,4-DIAMINE DERIVATIVES WITH CONSTIPATING AND PERIPHERAL ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2004-02-04 EP disclosed
WO-2002089783-A1 SUBSTITUTED CYCLOHEXAN-1,4-DIAMINE DERIVATIVES WITH CONSTIPATING AND PERIPHERAL ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2002-11-14 WO disclosed
WO-2002090317-A1 SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2002-11-14 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 (2 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-20040162287-A1 Substituted cyclohexane-1,4-diamine compounds DPYD, DDC, QDPR OPRL1 1102/4885OPRM1 459/4885KMT2A 2496/4885
US-20040229872-A1 Substituted cyclohexane-1,4-diamine compounds with anti-diarrhea and peripheral analgesic activity ARG1, CD2, PDCD1 OPRL1 41/4885OPRM1 250/4885KMT2A 3549/4885

“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.