SCHEMBL4398149

SCHEMBL4398149

C=C(CN1CCNCC1)CN(CCCOc1ccccc1C#N)C(=O)Nc1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
MRE11 P49959 1/20 0.36
HTR2C P28335 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM3 P20309 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
CASR P41180 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4399209 0.96 EPHX2 (0.37) EPHX2MRE11HTR2CCYP2C19CHRM3
SCHEMBL14472840 0.88 EPHX2 (0.40) EPHX2MRE11CYP2C19MEN1KMT2A
SCHEMBL6699521 0.88 CHRM3 (0.38) EPHX2MRE11HTR2CCHRM3MEN1
SCHEMBL13672943 0.84 EPHX2 (0.38) EPHX2MRE11CYP2C19MEN1KMT2A
SCHEMBL4401811 0.83 CASR (0.42) EPHX2ALDH1A1MAPTCASRLMNA
SCHEMBL6989235 0.83 CASR (0.45) EPHX2HTR2CMEN1KMT2ACASR
SCHEMBL4392185 0.83 KCNA5 (0.42) HTR2CCYP2C19KMT2AKDM4EALDH1A1
SCHEMBL4394783 0.82 CASR (0.42) EPHX2HTR2CMEN1KMT2AALDH1A1
SCHEMBL4394742 0.82 CASR (0.53) CYP2C19CHRM3MEN1KMT2AALDH1A1
SCHEMBL14472757 0.81 CASR (0.35) EPHX2HTR2CCHRM3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605261-B2 Urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AMGEN INC. (US) 2009-10-20 US disclosed
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2007-07-26 US disclosed
US-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use PROSKELIA SAS (FR) 2004-03-18 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-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use HRH4, HRH2, RPS2 EPHX2 881/4885MRE11 4268/4885HTR2C 968/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 EPHX2 2170/4885MRE11 4333/4885HTR2C 1573/4885

“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.