SCHEMBL3409372

SCHEMBL3409372

CC[Si](CC)(CC)c1[nH]c2ccccc2c1C(OC)C1CCC(Cc2ccccc2)(N(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.41
OGFRL1 Q5TC84 1/20 0.41
OPRL1 P41146 6/20 0.35
OPRK1 P41145 1/20 0.35
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRE P78334 1/20 0.30

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
SCHEMBL4089692 0.88 OPRM1 (0.39) OPRM1OGFRL1OPRL1OPRK1
SCHEMBL4096995 0.84 OPRL1 (0.45) OPRM1OGFRL1OPRL1OPRK1
SCHEMBL4095669 0.77 GPR84 (0.40) OPRM1OGFRL1OPRL1OPRK1ALDH1A1
SCHEMBL3405079 0.75 OPRM1 (0.41) OPRM1OGFRL1OPRL1OPRK1KDM4E
SCHEMBL4094827 0.69 HTR6 (0.37) OPRM1OGFRL1OPRL1OPRK1
SCHEMBL3430129 0.69 OPRM1 (0.35) OPRM1OGFRL1OPRL1OPRK1
SCHEMBL3411170 0.68 OPRM1 (0.44) OPRM1OGFRL1OPRL1OPRK1KDM4E
SCHEMBL13503629 0.67 OPRM1 (0.54) OPRM1OGFRL1OPRL1OPRK1LMNA
SCHEMBL733191 0.67 OPRM1 (0.49) OPRM1OGFRL1OPRL1OPRK1ALDH1A1
SCHEMBL734229 0.66 OPRM1 (0.48) OPRM1OGFRL1OPRL1OPRK1

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 5 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
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
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

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 OPRM1 7/4885OGFRL1 695/4885OPRL1 1/4885

“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.