SCHEMBL1702300

SCHEMBL1702300

NC1(Cc2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.64
OGFRL1 Q5TC84 12/20 0.64
OPRL1 P41146 5/20 0.64
OPRD1 P41143 3/20 0.64
OPRK1 P41145 3/20 0.64
ACHE P22303 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 1/20 0.39

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
Cebranopadol SCHEMBL154336 0.78 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cebranopadol SCHEMBL566256 0.78 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cebranopadol SCHEMBL29353179 0.78 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cebranopadol SCHEMBL10035739 0.78 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL1703335 0.78 OPRM1 (0.56) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL18452424 0.78 OPRM1 (0.65) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL3561227 0.78 OPRM1 (0.58) OPRM1OGFRL1OPRL1OPRD1OPRK1
Lexanopadol SCHEMBL29930643 0.78 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Lexanopadol SCHEMBL381022 0.78 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cebranopadol SCHEMBL15007659 0.78 OPRM1 (0.98) OPRM1OGFRL1OPRL1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048553-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 US claimed
EP-2121691-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2012-04-18 EP disclosed
US-7960404-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2011-06-14 US disclosed
US-20100048553-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 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-20100048553-A1 Spirocyclic Cyclohexane Compounds PKD2, PKD1, RYR1 OPRM1 65/4885OGFRL1 672/4885OPRL1 17/4885

“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.