SCHEMBL4103308

SCHEMBL4103308

CN(C)C1(c2ccccc2)CCN(C(=O)C2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HRH4 Q9H3N8 1/20 0.47
FPR2 P25090 1/20 0.46
AKR1C3 P42330 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL3408603 0.85 CFTR (0.46) MAPTKMT2AMEN1HRH4AKR1C3
SCHEMBL27836005 0.79 MAPT (0.70) MAPTKMT2AMEN1HRH4FPR2
SCHEMBL3406183 0.79 ALDH1A1 (0.54) MAPTKMT2AMEN1
SCHEMBL27835998 0.78 KDM4E (0.48) KMT2A
SCHEMBL3407009 0.76 OPRM1 (0.46) KMT2AMEN1
SCHEMBL4109110 0.76 GABRA1 (0.53)
SCHEMBL4999735 0.75 MAPT (0.64) MAPTKMT2AMEN1HRH4FPR2
SCHEMBL28026560 0.74 KMT2A (0.54) KMT2AMEN1
SCHEMBL23718993 0.73 CCR5 (0.54) KMT2AMEN1
SCHEMBL3407051 0.73 ALDH1A1 (0.45) MAPTKMT2AMEN1

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 MAPT 514/4885KMT2A 2203/4885MEN1 3427/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 MAPT 514/4885KMT2A 2203/4885MEN1 3427/4885

“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.