SCHEMBL4399190

SCHEMBL4399190

C=C(CN1CCNCC1)CN(CCOc1ccccc1C#N)C(=O)Nc1cccc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.41
MCHR1 Q99705 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 2/20 0.38
EPHX2 P34913 2/20 0.37
CSF1R P07333 1/20 0.37
PDGFRB P09619 1/20 0.37
FLT4 P35916 1/20 0.37
FLT3 P36888 1/20 0.37
MAPT P10636 1/20 0.37
DRD4 P21917 1/20 0.37
CHRM3 P20309 1/20 0.36

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
SCHEMBL4401811 0.96 CASR (0.42) CASRMCHR1SMN1; SMN2TSHRPKM
SCHEMBL4399460 0.92 KCNA5 (0.43) SMN1; SMN2TSHRPKMALDH1A1MAPT
SCHEMBL4394368 0.91 CASR (0.50) CASRSMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL4392185 0.89 KCNA5 (0.42) CASRSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL4394742 0.87 CASR (0.53) CASRSMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL4394724 0.86 HTR2C (0.38) CASRMCHR1ALDH1A1EPHX2CHRM3
SCHEMBL6989235 0.86 CASR (0.45) CASRSMN1; SMN2EPHX2
SCHEMBL14472841 0.85 CASR (0.43) CASRSMN1; SMN2TSHRALDH1A1EPHX2
SCHEMBL4394783 0.83 CASR (0.42) CASRSMN1; SMN2TSHRALDH1A1EPHX2
SCHEMBL4399209 0.83 EPHX2 (0.37) ALDH1A1EPHX2MAPTCHRM3

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 2192/4885MCHR1 632/4885SMN1; SMN2 1662/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885MCHR1 888/4885SMN1; SMN2 2522/4885

“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.