SCHEMBL4091868

SCHEMBL4091868

CN(c1c[nH]c2ccccc12)C(CC(=O)N1CCC(c2cccs2)(N(C)C)CC1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
OPRM1 P35372 7/20 0.38
OPRL1 P41146 7/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.36
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CCR5 P51681 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3408714 0.90 SRC (0.37) KMT2AGAAOPRM1OPRL1MGAM
SCHEMBL3408780 0.90 OPRM1 (0.36) PKMKMT2AGAAOPRM1OPRL1
SCHEMBL4109214 0.84 MAPT (0.37) KMT2AGAAOPRM1OPRL1ALDH1A1
SCHEMBL3410162 0.82 OPRM1 (0.36) KMT2AOPRM1OPRL1ALDH1A1MAPT
SCHEMBL3401727 0.81 OPRM1 (0.42) PKMKMT2AGAAOPRM1OPRL1
SCHEMBL4104191 0.80 OPRM1 (0.36) OPRM1OPRL1
SCHEMBL3406628 0.79 OPRM1 (0.36) OPRM1OPRL1MAPT
SCHEMBL3407495 0.79 GAA (0.37) PKMKMT2AGAAOPRM1OPRL1
SCHEMBL3405568 0.77 GAA (0.36) PKMKMT2AGAAOPRM1OPRL1
SCHEMBL13735733 0.77 OPRM1 (0.47) 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 7 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
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US claimed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US claimed
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
EP-2254883-B1 SUBSTITUTED INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-11-26 EP disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US 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 (2 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 PKM 1115/4885KMT2A 2203/4885GAA 2847/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 PKM 1115/4885KMT2A 2203/4885GAA 2847/4885

“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.