SCHEMBL3431375

SCHEMBL3431375

CC(C)c1ccc2c(N(C)CCN3CCC(c4cccs4)(N(C)C)CC3)c[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.40
OPRL1 P41146 11/20 0.40
HTR1D P28221 4/20 0.36
HTR1B P28222 4/20 0.36
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
KCNH2 Q12809 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
SCHEMBL3407474 0.86 OPRM1 (0.45) OPRM1OPRL1DRD2HTR2A
SCHEMBL3427309 0.83 OPRM1 (0.42) OPRM1OPRL1HTR1DHTR1BHTR7
SCHEMBL3405521 0.82 OPRM1 (0.41) OPRM1OPRL1HTR1DHTR1BDRD2
SCHEMBL3431374 0.82 HTR1D (0.39) OPRM1OPRL1HTR1DHTR1B
SCHEMBL3407142 0.80 HTR1A (0.42) OPRM1OPRL1HTR1DHTR1BDRD2
SCHEMBL3432409 0.71 OPRM1 (0.43) OPRM1OPRL1HTR7
SCHEMBL3408690 0.71 OPRL1 (0.49) OPRM1OPRL1HTR1DHTR1B
SCHEMBL3408808 0.68 NPSR1 (0.42) OPRM1OPRL1DRD2HTR2AHTR7
SCHEMBL13139593 0.68 OPRM1 (0.57) OPRM1OPRL1
SCHEMBL27835991 0.68 OPRM1 (0.57) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254883-B1 SUBSTITUTED INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-11-26 EP claimed
EP-2254883-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2010-12-01 EP claimed
WO-2009103552-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-08-27 WO claimed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US claimed
EP-2254883-B1 SUBSTITUTED INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-11-26 EP disclosed
EP-2254883-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2010-12-01 EP disclosed
WO-2009103552-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-08-27 WO disclosed
US-20090215828-A1 Substituted indole 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-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRM1 30/4885OPRL1 25/4885HTR1D 36/4885

“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.