SCHEMBL4391341

SCHEMBL4391341

C=C(CN1CCNCC1)CN(CCCOc1ccccc1C#N)C(=O)NCc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.37
HTR2C P28335 1/20 0.36
CHRM3 P20309 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MLNR O43193 4/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK8 P45983 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL4391651 0.96 EPHX2 (0.38) EPHX2HTR2CCHRM3MEN1KMT2A
SCHEMBL6699521 0.89 CHRM3 (0.38) EPHX2HTR2CCHRM3MEN1KMT2A
SCHEMBL14472756 0.88 MLNR (0.35) EPHX2CHRM3MEN1KMT2AMLNR
SCHEMBL4396661 0.85 MAPT (0.40) CHRM3MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13672947 0.84 ALDH1A1 (0.34) EPHX2CHRM3MEN1KMT2AMAPT
SCHEMBL4401054 0.81 HTT (0.40) CHRM3KMT2AALDH1A1TP53
SCHEMBL4398149 0.80 EPHX2 (0.38) EPHX2HTR2CCHRM3MEN1KMT2A
SCHEMBL4392185 0.80 KCNA5 (0.42) HTR2CKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4394783 0.79 CASR (0.42) EPHX2HTR2CMEN1KMT2AMAPT
SCHEMBL6989235 0.79 CASR (0.45) EPHX2HTR2CMEN1KMT2ASMN1; SMN2

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 881/4885HTR2C 968/4885CHRM3 79/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 EPHX2 2170/4885HTR2C 1573/4885CHRM3 182/4885

“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.