SCHEMBL5166469

SCHEMBL5166469

CC(NC1CCC(c2ccccc2)(N(C)C)CC1)c1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 17/20 0.61
OPRM1 P35372 15/20 0.61
GPR84 Q9NQS5 2/20 0.41
FFAR1 O14842 1/20 0.41
SRC P12931 1/20 0.40

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
SCHEMBL2548826 0.83 GPR84 (0.54) GPR84FFAR1SRC
SCHEMBL5164684 0.81 OPRL1 (0.70) OPRL1OPRM1
SCHEMBL12918432 0.81 OPRL1 (0.70) OPRL1OPRM1
Hydrochloric Acid SCHEMBL5164066 0.81 OPRL1 (0.69) OPRL1OPRM1
SCHEMBL3783830 0.78 OPRL1 (0.67) OPRL1OPRM1
SCHEMBL3405975 0.77 OPRL1 (0.54) OPRL1OPRM1GPR84FFAR1SRC
Hydrochloric Acid SCHEMBL3810124 0.77 OPRL1 (0.66) OPRL1OPRM1
SCHEMBL6729772 0.76 OPRL1 (0.65) OPRL1OPRM1
SCHEMBL5163884 0.76 OPRL1 (0.65) OPRL1OPRM1
SCHEMBL6551984 0.76 OPRL1 (0.65) OPRL1OPRM1

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 7 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 claimed
EP-1392641-B1 SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-04-11 EP claimed
US-20040162287-A1 Substituted cyclohexane-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2004-08-19 US claimed
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

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 459/4885GPR84 3151/4885
US-20040229872-A1 Substituted cyclohexane-1,4-diamine compounds with anti-diarrhea and peripheral analgesic activity ARG1, CD2, PDCD1 OPRL1 41/4885OPRM1 250/4885GPR84 893/4885

“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.