SCHEMBL4401983

SCHEMBL4401983

C=C(CN1CCNCC1)CN(CCNC(C)c1cccc(C)c1)C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.39
DRD4 P21917 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GFER P55789 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM3 P20309 1/20 0.35
NPY5R Q15761 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL4397565 0.88 CASR (0.54) CASRMEN1KMT2AALDH1A1TSHR
SCHEMBL4401979 0.84 DRD4 (0.41) DRD4MEN1KMT2AALDH1A1KDM4E
SCHEMBL4397695 0.81 CHRM3 (0.37) CASRMEN1KMT2AALDH1A1KDM4E
SCHEMBL4401977 0.81 MAPT (0.41) DRD4MEN1KMT2AALDH1A1KDM4E
SCHEMBL4394593 0.81 CASR (0.53) CASRALDH1A1NPY5R
Hydrochloric Acid SCHEMBL4391804 0.81 CASR (0.53) CASRALDH1A1NPY5R
SCHEMBL4391985 0.80 CXCR4 (0.37) CASRALDH1A1CHRM3
SCHEMBL4394677 0.80 CASR (0.45) CASRMEN1KMT2AALDH1A1KDM4E
SCHEMBL4400538 0.79 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1KDM4EGFER
Hydrochloric Acid SCHEMBL4403194 0.78 CASR (0.50) CASRMEN1KMT2AALDH1A1KDM4E

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 CASR 2192/4885DRD4 614/4885MEN1 3080/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885DRD4 397/4885MEN1 2571/4885

“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.