SCHEMBL3408763

SCHEMBL3408763

CN(C)C1(Cc2ccccc2)CCC(COCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
OPRM1 P35372 4/20 0.43
BCHE P06276 3/20 0.42
ACHE P22303 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC6A4 P31645 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
HTR1A P08908 1/20 0.39

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
SCHEMBL3406231 0.88 HTR6 (0.42) OPRL1LMNAGAAOPRM1BCHE
SCHEMBL3404761 0.88 OPRM1 (0.47) OPRL1OPRM1ALDH1A1KMT2AMEN1
SCHEMBL3402346 0.85 MET (0.46) OPRL1OPRM1BCHEKDM4ESLC6A4
SCHEMBL3430018 0.84 BCHE (0.44) OPRL1LMNAOPRM1BCHEACHE
SCHEMBL3405979 0.83 OPRL1 (0.65) OPRL1LMNAGAAOPRM1BCHE
SCHEMBL1853029 0.80 SLC6A4 (0.55) LMNABCHEALDH1A1MAPTSMN1; SMN2
SCHEMBL5164787 0.78 OPRL1 (0.69) OPRL1LMNAGAAOPRM1ALDH1A1
Hydrochloric Acid SCHEMBL5164262 0.77 OPRL1 (0.68) OPRL1LMNAGAAOPRM1ALDH1A1
SCHEMBL3405079 0.77 OPRM1 (0.41) OPRL1LMNAOPRM1ALDH1A1MAPT
SCHEMBL5164225 0.75 OPRL1 (0.48) OPRL1LMNAGAAOPRM1ALDH1A1

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
EP-2254864-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2014-05-14 EP claimed
CN-102015640-A Substituted 4-aminocyclohexane derivatives for the treatment of pain GRUENENTHAL GMBH 2011-04-13 CN claimed
EP-2254864-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2010-12-01 EP claimed
WO-2009106307-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2009-09-03 WO claimed
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US claimed
EP-2254864-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2014-05-14 EP disclosed
CN-102015640-A Substituted 4-aminocyclohexane derivatives for the treatment of pain GRUENENTHAL GMBH 2011-04-13 CN disclosed
EP-2254864-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2010-12-01 EP disclosed
WO-2009106307-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2009-09-03 WO disclosed
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives GRUNENTHAL GMBH (DE) 2009-08-27 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-20090215725-A1 Substituted 4-aminocyclohexane derivatives OPRL1, OPRD1, OPRK1 OPRL1 1/4885LMNA 2312/4885GAA 4302/4885

“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.