SCHEMBL699445

SCHEMBL699445

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.43
OGFRL1 Q5TC84 3/20 0.43
OPRL1 P41146 1/20 0.37
NR1H4 Q96RI1 2/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPA1 O75762 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
POLB P06746 1/20 0.34
LPAR1 Q92633 1/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34

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
SCHEMBL700960 0.94 OPRM1 (0.47) OPRM1OGFRL1OPRL1KMT2ATRPA1
SCHEMBL700598 0.94 OPRM1 (0.46) OPRM1OGFRL1OPRL1NR1H4KMT2A
SCHEMBL698520 0.93 OPRM1 (0.42) OPRM1OGFRL1OPRL1KMT2ATRPA1
SCHEMBL701425 0.93 OPRM1 (0.43) OPRM1OGFRL1OPRL1KMT2ATRPA1
SCHEMBL698813 0.87 OPRM1 (0.48) OPRM1OGFRL1OPRL1NR1H4KMT2A
SCHEMBL699258 0.86 OPRM1 (0.47) OPRM1OGFRL1OPRL1NR1H4KMT2A
SCHEMBL700106 0.84 OPRM1 (0.46) OPRM1OGFRL1OPRL1NR1H4KMT2A
SCHEMBL700398 0.83 OPRM1 (0.46) OPRM1OGFRL1OPRL1KMT2A
SCHEMBL699826 0.83 OPRM1 (0.49) OPRM1OGFRL1OPRL1NR1H4POLB
SCHEMBL698369 0.83 OPRM1 (0.47) OPRM1OGFRL1OPRL1NR1H4KMT2A

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
US-8124788-B2 Spirocyclic cyclohexane compounds with analgesic activity GRUENENTHAL GMBH (DE) 2012-02-28 US claimed
EP-2010531-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH ANALGESIC PROPERTIES GRUENENTHAL GMBH (DE) 2011-08-17 EP claimed
US-20090111842-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY GRUENENTHAL GMBH (DE) 2009-04-30 US claimed
US-8124788-B2 Spirocyclic cyclohexane compounds with analgesic activity GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
EP-2010531-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH ANALGESIC PROPERTIES GRUENENTHAL GMBH (DE) 2011-08-17 EP disclosed
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.