SCHEMBL699299

SCHEMBL699299

CC(CC(=O)N1CCc2c([nH]c3ccccc23)C12CCC(C(c1ccc(F)cc1)N(C)C)CC2)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.46
OGFRL1 Q5TC84 3/20 0.46
OPRL1 P41146 1/20 0.40
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 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
SCHEMBL698513 0.93 OPRM1 (0.46) OPRM1OGFRL1OPRL1
SCHEMBL699258 0.90 OPRM1 (0.47) OPRM1OGFRL1OPRL1LMNATP53
SCHEMBL700789 0.90 OPRM1 (0.51) OPRM1OGFRL1OPRL1ABCB1ABCG2
SCHEMBL700967 0.89 OPRM1 (0.47) OPRM1OGFRL1OPRL1LMNATP53
SCHEMBL700398 0.88 OPRM1 (0.46) OPRM1OGFRL1OPRL1LMNATP53
SCHEMBL2326027 0.88 LMNA (0.48) OPRM1OGFRL1OPRL1LMNATP53
SCHEMBL700106 0.88 OPRM1 (0.46) OPRM1OGFRL1OPRL1LMNATP53
SCHEMBL698813 0.87 OPRM1 (0.48) OPRM1OGFRL1OPRL1NR1H4ABCB1
SCHEMBL699422 0.87 OPRM1 (0.45) OPRM1OGFRL1OPRL1
SCHEMBL699826 0.87 OPRM1 (0.49) OPRM1OGFRL1OPRL1NR1H4ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124788-B2 Spirocyclic cyclohexane compounds with analgesic activity GRUENENTHAL GMBH (DE) 2012-02-28 US claimed
US-20090111842-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY GRUENENTHAL GMBH (DE) 2009-04-30 US claimed
US-20090111842-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY GRUENENTHAL GMBH (DE) 2009-04-30 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-20090111842-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY OPRK1, OPRL1, OPRD1 OPRM1 9/4885OGFRL1 163/4885OPRL1 2/4885

“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.