SCHEMBL4093413

SCHEMBL4093413

CN(C)C1(c2ccccc2)CCN(C(=O)C2CCCN(C(=O)c3cccc4c3ccn4C)C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.51
MGLL Q99685 2/20 0.49
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 5/20 0.40
GFER P55789 2/20 0.40
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HCRTR1 O43613 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3407051 0.82 ALDH1A1 (0.45) KDM4EKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL27835972 0.80 HSD11B1 (0.58) HSD11B1MGLLKDM4EKMT2AALDH1A1
SCHEMBL27835998 0.80 KDM4E (0.48) KDM4EKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL3429858 0.80 MGLL (0.43) HSD11B1MGLLOPRM1OPRL1
SCHEMBL4109110 0.78 GABRA1 (0.53) HSD11B1GFERPOLBHTTOPRM1
SCHEMBL3434218 0.78 ALDH1A1 (0.52) KDM4EKMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL28026560 0.77 KMT2A (0.54) HSD11B1KDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL14911206 0.76 MGLL (0.43) HSD11B1MGLLHCRTR1OPRM1OPRL1
SCHEMBL23718993 0.76 CCR5 (0.54) KMT2AALDH1A1TSHRMEN1MAPK1
SCHEMBL27835999 0.75 OPRL1 (0.49) KDM4EKMT2AALDH1A1SMN1; SMN2OPRM1

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
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
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 HSD11B1 300/4885MGLL 784/4885KDM4E 2535/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 HSD11B1 300/4885MGLL 784/4885KDM4E 2535/4885

“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.