SCHEMBL4094887

SCHEMBL4094887

Fc1ccc2[nH]cc(COCC3CCC(c4ccccc4)(N4CCC4)CC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
OPRL1 P41146 2/20 0.44
HSD11B1 P28845 1/20 0.43
SLC6A4 P31645 3/20 0.43
MPO P05164 3/20 0.42
MAPK1 P28482 1/20 0.42
TACR2 P21452 3/20 0.42
GLP1R P43220 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 1/20 0.41
GPR84 Q9NQS5 1/20 0.41

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
SCHEMBL3428458 0.83 OPRM1 (0.65) OPRM1OPRL1SLC6A4MPOMAPK1
SCHEMBL4094115 0.79 OPRM1 (0.41) OPRM1OPRL1HSD11B1
SCHEMBL3406661 0.78 DRD4 (0.45) OPRM1OPRL1HSD11B1HTR1AGPR84
SCHEMBL3404761 0.77 OPRM1 (0.47) OPRM1OPRL1SLC6A4MPOMAPK1
SCHEMBL3428775 0.73 OPRM1 (0.50) OPRM1OPRL1SLC6A4MPOMAPK1
SCHEMBL3403075 0.72 BCHE (0.46) OPRM1OPRL1SLC6A4MPOMAPK1
SCHEMBL3405049 0.72 OPRL1 (0.49) OPRM1OPRL1SLC6A4HTR1A
SCHEMBL3431453 0.71 OPRL1 (0.50) OPRM1OPRL1SLC6A4
SCHEMBL3405007 0.70 OPRL1 (0.49) OPRM1OPRL1SLC6A4
SCHEMBL3405979 0.70 OPRL1 (0.65) OPRM1OPRL1SLC6A4MEN1ALDH1A1

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 4 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
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 1/4885HSD11B1 1640/4885

“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.