SCHEMBL3402346

SCHEMBL3402346

CN(C)C1(Cc2ccccc2)CCC(COCc2c[nH]c3ncccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.46
▸ DRD4 P21917 3/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ GPR84 Q9NQS5 2/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ FGFR4 P22455 1/20 0.40
▸ BCHE P06276 1/20 0.39
▸ OPRM1 P35372 2/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ SLC6A4 P31645 1/20 0.36
▸ HTR2A P28223 3/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ ROCK2 O75116 1/20 0.35

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
SCHEMBL3408763 0.85 OPRL1 (0.44) BCHEOPRM1OPRL1SLC6A4HTR2A
SCHEMBL3407415 0.85 BCHE (0.47) METDRD4DRD2DRD3GPR84
SCHEMBL3404197 0.84 OPRL1 (0.48) METDRD4DRD2DRD3GPR84
SCHEMBL3406231 0.84 HTR6 (0.42) DRD4DRD2GPR84BCHEOPRM1
SCHEMBL3403029 0.80 OPRM1 (0.33) OPRM1OPRK1OPRL1KDM4EMITF
Hydrochloric Acid SCHEMBL3406467 0.79 OPRM1 (0.33) OPRM1OPRK1OPRL1KDM4EMITF
SCHEMBL735185 0.79 OPRM1 (0.50) METDRD4DRD2DRD3OPRM1
SCHEMBL3404761 0.78 OPRM1 (0.47) GPR84OPRM1OPRL1SLC6A4HTR2A
Hydrochloric Acid SCHEMBL733924 0.78 OPRM1 (0.49) METDRD4DRD2DRD3OPRM1
SCHEMBL3405060 0.78 OPRM1 (0.32) DRD4DRD2DRD3OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254864-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2014-05-14 — — EP claimed
EP-2254864-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2010-12-01 — — EP claimed
WO-2009106307-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2009-09-03 — — WO claimed
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives GRUNENTHAL GMBH (DE) 2009-08-27 — — US claimed
EP-2254864-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2014-05-14 — — EP disclosed
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives GRUNENTHAL GMBH (DE) 2009-08-27 — — 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 (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-20090215725-A1 Substituted 4-aminocyclohexane derivatives OPRL1, OPRD1, OPRK1 MET 2095/4885DRD4 612/4885DRD2 662/4885

“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.

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