SCHEMBL4397693

SCHEMBL4397693

C=C(CN1CCNCC1)CN(CCNCCc1cccc(C)c1)C(=O)NCCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM3 P20309 1/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 2/20 0.36
HPGD P15428 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL4391982 0.88 CXCR4 (0.44) ALDH1A1CHRM3KMT2AMEN1SMN1; SMN2
SCHEMBL4397695 0.86 CHRM3 (0.37) KDM4EALDH1A1CHRM3NPC1RAB9A
SCHEMBL4397690 0.85 CHRM3 (0.39) KDM4EALDH1A1CHRM3NPC1RAB9A
SCHEMBL4401979 0.84 DRD4 (0.41) KDM4EALDH1A1CHRM3KMT2AMEN1
SCHEMBL4397564 0.83 CASR (0.49) ALDH1A1CHRM3KMT2AMEN1LMNA
SCHEMBL4399312 0.81 CASR (0.42) KMT2AMEN1LMNA
SCHEMBL4401960 0.80 ALDH1A1 (0.47) ALDH1A1CHRM3NPC1RAB9AKMT2A
SCHEMBL4398678 0.80 CHRM3 (0.44) CHRM3
SCHEMBL4397200 0.78 SIGMAR1 (0.39) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL4397159 0.78 CASR (0.40)

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 KDM4E 2705/4885ALDH1A1 3828/4885CHRM3 79/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 KDM4E 2000/4885ALDH1A1 3190/4885CHRM3 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.