SCHEMBL4391982

SCHEMBL4391982

C=C(CN1CCNCC1)CN(CCNCCc1cccc(C)c1)C(=O)NCc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.44
MLNR O43193 2/20 0.38
CHRM3 P20309 2/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
DRD2 P14416 2/20 0.34
ADRA1D P25100 2/20 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
SCHEMBL4397693 0.88 KDM4E (0.40) CHRM3MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4391985 0.84 CXCR4 (0.37) CXCR4CHRM3MAPTALDH1A1SMN1; SMN2
SCHEMBL4391981 0.82 MAPT (0.45) CXCR4CHRM3MEN1KMT2AMAPT
SCHEMBL4401054 0.82 HTT (0.40) CHRM3KMT2AALDH1A1TP53POLB
SCHEMBL4401979 0.79 DRD4 (0.41) MLNRCHRM3MEN1KMT2AMAPT
SCHEMBL4400761 0.79 KMT2A (0.44) CXCR4MLNRCHRM3MEN1KMT2A
SCHEMBL4396219 0.79 CHRM3 (0.49) CXCR4MLNRCHRM3
SCHEMBL4397564 0.78 CASR (0.49) CHRM3MEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL4399450 0.77 CASR (0.44) MEN1KMT2ATP53
SCHEMBL4397695 0.75 CHRM3 (0.37) MLNRCHRM3MEN1KMT2AALDH1A1

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 CXCR4 273/4885MLNR 871/4885CHRM3 79/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CXCR4 401/4885MLNR 532/4885CHRM3 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.