SCHEMBL3408103

SCHEMBL3408103

CN(C)C1(c2ccccc2)CCN(C(=O)C2CCCN(Cc3cccc4cc[nH]c34)C2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 6/20 0.48
HPGD P15428 3/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 3/20 0.45
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
DRD4 P21917 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
SCHEMBL3410662 0.86 KDM4E (0.50) KMT2AKDM4EHPGDTSHRALDH1A1
SCHEMBL3403680 0.83 KDM4E (0.49) KMT2AKDM4EHPGDALDH1A1MEN1
SCHEMBL3403070 0.82 KDM4E (0.48) KMT2AKDM4EHPGDALDH1A1MEN1
SCHEMBL3404694 0.81 CYP2D6 (0.52) KMT2AKDM4EHPGDTSHRALDH1A1
SCHEMBL3410633 0.77 KMT2A (0.49) KMT2AKDM4EHPGDTSHRALDH1A1
SCHEMBL3405057 0.75 ALDH1A1 (0.53) KMT2AKDM4EHPGDTSHRALDH1A1
SCHEMBL3409362 0.74 OPRM1 (0.44)
SCHEMBL27835998 0.74 KDM4E (0.48) KMT2AKDM4EHPGDTSHRALDH1A1
SCHEMBL3406183 0.74 ALDH1A1 (0.54) KMT2AKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL23718993 0.74 CCR5 (0.54) KMT2ATSHRALDH1A1MEN1

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 10 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
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 KMT2A 2203/4885KDM4E 2535/4885HPGD 112/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 KMT2A 2203/4885KDM4E 2535/4885HPGD 112/4885

“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.