SCHEMBL4100472

SCHEMBL4100472

CC[Si](C#CCOCC1CCC(c2cccs2)(N(C)C)CC1)(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.41
OPRL1 P41146 11/20 0.41
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL3400871 0.82 OPRL1 (0.46) OPRM1OPRL1
SCHEMBL3404548 0.74 HTR2A (0.41) OPRM1OPRL1
SCHEMBL3402434 0.72
SCHEMBL3406577 0.71 OPRM1 (0.33) OPRM1OPRL1
SCHEMBL3404553 0.70
SCHEMBL4094812 0.70
SCHEMBL21766654 0.69 OPRM1 (0.52) OPRM1OPRL1LMNATSHR
SCHEMBL3408958 0.68 SIGMAR1 (0.39) OPRM1
SCHEMBL3400838 0.68
SCHEMBL3404617 0.68 OPRM1 (0.35) OPRM1OPRL1

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 2 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 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 OPRM1 7/4885OPRL1 1/4885LMNA 2312/4885

“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.