SCHEMBL698944

SCHEMBL698944

CN(C)C(c1ccccc1)C1CCC2(CC1)c1[nH]c3ccccc3c1CCN2C(=O)C=Cc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.46
OGFRL1 Q5TC84 2/20 0.46
OPRL1 P41146 1/20 0.38
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
LPAR1 Q92633 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL699443 0.93 OPRM1 (0.42) OPRM1OGFRL1OPRL1MAPTNPC1
SCHEMBL701209 0.90 OPRM1 (0.49) OPRM1OGFRL1OPRL1NPC1RAB9A
SCHEMBL700349 0.85 OPRM1 (0.46) OPRM1OGFRL1OPRL1TRPV1BCHE
SCHEMBL698790 0.84 OPRM1 (0.65) OPRM1OGFRL1OPRL1MAPTLMNA
SCHEMBL698925 0.82 OPRM1 (0.51) OPRM1OGFRL1OPRL1MAPTMAPK1
SCHEMBL700104 0.82 OPRM1 (0.53) OPRM1OGFRL1OPRL1ALDH1A1L3MBTL1
SCHEMBL700503 0.82 OPRM1 (0.51) OPRM1OGFRL1OPRL1MAPTMAPK1
SCHEMBL698945 0.81 OPRM1 (0.52) OPRM1OGFRL1OPRL1ALDH1A1LPAR1
SCHEMBL700024 0.81 OPRM1 (0.48) OPRM1OGFRL1OPRL1MAPTALDH1A1
SCHEMBL700789 0.80 OPRM1 (0.51) OPRM1OGFRL1OPRL1L3MBTL1TRPV1

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 10 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
EP-2010531-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2009-01-07 EP claimed
WO-2007124903-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2007-11-08 WO 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 163/4885OPRL1 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.