SCHEMBL1702741

SCHEMBL1702741

O=C(/C=C\c1ccccc1)N1CCc2c([nH]c3ccccc23)C12CCC(c1cccc(F)c1)(N1CCC1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.49
OGFRL1 Q5TC84 3/20 0.49
OPRL1 P41146 4/20 0.40
TRPV1 Q8NER1 1/20 0.38
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38
ESR1 P03372 3/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A9 P48067 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
CRHBP P24387 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
SCHEMBL1702743 1.00 OPRM1 (0.49) OPRM1OGFRL1OPRL1TRPV1CDK4
SCHEMBL19526260 0.89 OPRM1 (0.51) OPRM1OGFRL1OPRL1TRPV1CDK4
Grt-6010 SCHEMBL517442 0.88 OPRM1 (0.63) OPRM1OGFRL1OPRL1
Grt-6010 SCHEMBL517767 0.88 OPRM1 (0.63) OPRM1OGFRL1OPRL1
Grt-6010 SCHEMBL518255 0.88 OPRM1 (0.63) OPRM1OGFRL1OPRL1
Grt-6010 SCHEMBL10038872 0.88 OPRM1 (0.63) OPRM1OGFRL1OPRL1
Grt-6010 SCHEMBL16051840 0.86 OPRM1 (0.61) OPRM1OGFRL1OPRL1
Grt-6010 SCHEMBL16051841 0.86 OPRM1 (0.61) OPRM1OGFRL1OPRL1
SCHEMBL2435861 0.84 OPRM1 (0.49) OPRM1OGFRL1OPRL1TRPV1CDK4
SCHEMBL2435858 0.84 OPRM1 (0.49) OPRM1OGFRL1OPRL1TRPV1CDK4

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
EP-2121691-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2012-04-18 EP claimed
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
EP-2121691-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-11-25 EP disclosed
WO-2008101660-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2008-08-28 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 (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.