SCHEMBL4397197

SCHEMBL4397197

C=C(CN1CCN(C(=O)OC(C)(C)C)CC1)CN(CCC(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
CASR P41180 4/20 0.39
ALDH1A1 P00352 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ACKR3 P25106 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ATM Q13315 1/20 0.36
MAPT P10636 2/20 0.36
CCR5 P51681 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL4399450 0.83 CASR (0.44) CASRCCR5
SCHEMBL4393202 0.82 CASR (0.47) CASRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL4403137 0.81 LMNA (0.48) CASRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL4393787 0.81 CASR (0.42) CASRCCR5
SCHEMBL4401060 0.80 CASR (0.47) CASRALDH1A1MAPTHTT
SCHEMBL4389884 0.80 MAPT (0.48) CASRCHRM2CHRM4CHRM1CHRM3
SCHEMBL4393898 0.80 CASR (0.45) CASRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL4562924 0.79 CASR (0.47) CASR
SCHEMBL6698536 0.79 CASR (0.57) CASR
SCHEMBL4393902 0.79 CASR (0.42) CASRCHRM2CHRM4CHRM1CHRM3

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 KDM1A 4010/4885CASR 2192/4885ALDH1A1 3828/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 KDM1A 3877/4885CASR 2483/4885ALDH1A1 3190/4885

“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.