SCHEMBL700349

SCHEMBL700349

CN(C)C(c1ccc(F)cc1)C1CCC2(CC1)c1[nH]c3ccccc3c1CCN2C(=O)C=Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.46
OGFRL1 Q5TC84 3/20 0.46
SLC6A2 P23975 1/20 0.38
OPRL1 P41146 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CCR2 P41597 4/20 0.36
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
ESR1 P03372 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 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
SCHEMBL701209 0.95 OPRM1 (0.49) OPRM1OGFRL1OPRL1BCHEACHE
SCHEMBL701573 0.87 OPRM1 (0.47) OPRM1OGFRL1OPRL1CDK4CCND1
SCHEMBL699826 0.87 OPRM1 (0.49) OPRM1OGFRL1OPRL1CDK4CCND1
SCHEMBL698813 0.86 OPRM1 (0.48) OPRM1OGFRL1OPRL1CDK4CCND1
SCHEMBL700398 0.85 OPRM1 (0.46) OPRM1OGFRL1OPRL1HDAC6
SCHEMBL699258 0.85 OPRM1 (0.47) OPRM1OGFRL1OPRL1CDK4CCND1
SCHEMBL698944 0.85 OPRM1 (0.46) OPRM1OGFRL1OPRL1BCHEACHE
SCHEMBL700106 0.85 OPRM1 (0.46) OPRM1OGFRL1OPRL1CDK4CCND1
SCHEMBL700967 0.85 OPRM1 (0.47) OPRM1OGFRL1OPRL1ABCB1ABCG2
SCHEMBL698369 0.84 OPRM1 (0.47) OPRM1OGFRL1OPRL1CDK4CCND1

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 8 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
EP-2010531-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2009-01-07 EP disclosed
WO-2007124903-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2007-11-08 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-20090111842-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY OPRK1, OPRL1, OPRD1 OPRM1 9/4885OGFRL1 163/4885SLC6A2 3869/4885

“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.