SCHEMBL3403680

SCHEMBL3403680

CN(C)C1(c2ccccc2)CCN(C(=O)C2CCCN(Cc3ccc4cc[nH]c4c3)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
FAAH O00519 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL3403070 0.94 KDM4E (0.48) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL3408103 0.83 KMT2A (0.50) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL3410662 0.83 KDM4E (0.50) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL3406183 0.83 ALDH1A1 (0.54) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL3404694 0.79 CYP2D6 (0.52) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL3404064 0.79 FAAH (0.41) FAAH
SCHEMBL3410633 0.77 KMT2A (0.49) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL3405057 0.77 ALDH1A1 (0.53) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL27835998 0.74 KDM4E (0.48) KDM4EALDH1A1HPGDKMT2APOLB
SCHEMBL23718993 0.74 CCR5 (0.54) ALDH1A1KMT2AMEN1

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 KDM4E 2535/4885ALDH1A1 886/4885HPGD 112/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 KDM4E 2535/4885ALDH1A1 886/4885HPGD 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.