SCHEMBL1702774

SCHEMBL1702774

Fc1cccc(C2(N3CCC3)CCC3(CC2)NCCc2c3[nH]c3ccccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 8/20 0.55
LMNA P02545 1/20 0.55
OPRM1 P35372 8/20 0.53
OGFRL1 Q5TC84 6/20 0.53
OPRL1 P41146 3/20 0.53
KMT2A Q03164 2/20 0.46
CDK8 P49336 1/20 0.44
NTRK3 Q16288 1/20 0.44
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
CRHBP P24387 1/20 0.41
MAPK1 P28482 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL3411849 0.84 OPRM1 (0.53) CFTRLMNAOPRM1OGFRL1OPRL1
SCHEMBL1702808 0.82 OPRM1 (0.68) CFTROPRM1OGFRL1OPRL1KMT2A
SCHEMBL517410 0.81 OPRM1 (0.78) CFTRLMNAOPRM1OGFRL1OPRL1
SCHEMBL10038858 0.81 OPRM1 (0.78) CFTRLMNAOPRM1OGFRL1OPRL1
SCHEMBL10038873 0.81 OPRM1 (0.78) CFTRLMNAOPRM1OGFRL1OPRL1
SCHEMBL1702762 0.76 OPRM1 (0.53) CFTRLMNAOPRM1OGFRL1OPRL1
SCHEMBL6031806 0.75 OPRM1 (0.53) CFTRLMNAOPRM1OGFRL1OPRL1
SCHEMBL1702743 0.75 OPRM1 (0.49) OPRM1OGFRL1OPRL1KMT2AMEN1
SCHEMBL1702741 0.75 OPRM1 (0.49) OPRM1OGFRL1OPRL1KMT2AMEN1
SCHEMBL998772 0.74 OPRM1 (0.53) CFTRLMNAOPRM1OGFRL1OPRL1

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 5 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

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 CFTR 274/4885LMNA 2262/4885OPRM1 65/4885

“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.