SCHEMBL3408073

SCHEMBL3408073

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 5/20 0.38
GAA P10253 5/20 0.38
SI P14410 5/20 0.38
MGAM2 Q2M2H8 5/20 0.38
NOD2 Q9HC29 1/20 0.37
SSTR2 P30874 6/20 0.36
MAPT P10636 3/20 0.36
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CCR5 P51681 1/20 0.34
LMNA P02545 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL3407011 0.83 GAA (0.45) GAAMAPTOPRM1OPRL1KMT2A
SCHEMBL3405568 0.83 GAA (0.36) MGAMGAASIMGAM2NOD2
SCHEMBL3407998 0.81 OPRM1 (0.40) MGAMGAASIMGAM2SSTR2
SCHEMBL3409409 0.81 GAA (0.37) MGAMGAASIMGAM2SSTR2
SCHEMBL3405014 0.80 GAA (0.37) MGAMGAASIMGAM2SSTR2
SCHEMBL3406644 0.78 SIGMAR1 (0.41) OPRM1OPRL1KMT2ANPSR1MEN1
SCHEMBL3407505 0.77 NPSR1 (0.39) OPRM1OPRL1NPSR1
SCHEMBL3407495 0.76 GAA (0.37) MGAMGAASIMGAM2NOD2
SCHEMBL4091868 0.74 PKM (0.38) MGAMGAASIMGAM2MAPT
SCHEMBL3401667 0.74 OPRM1 (0.41) MGAMGAASIMGAM2MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US claimed
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
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
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
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 (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 MGAM 2733/4885GAA 2847/4885SI 126/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 MGAM 2733/4885GAA 2847/4885SI 126/4885

“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.