SCHEMBL4393209

SCHEMBL4393209

C=C(CN1CCNCC1)CN(CCc1ccc(OC)cc1)C(=O)Nc1cccc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
PPARA Q07869 1/20 0.43
CASR P41180 2/20 0.43
MLNR O43193 3/20 0.43
ALDH1A1 P00352 2/20 0.41
CHRM3 P20309 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4392178 0.92 CASR (0.52) SMN1; SMN2CASRALDH1A1CHRM3LMNA
SCHEMBL4400538 0.91 SMN1; SMN2 (0.43) SMN1; SMN2PPARAALDH1A1MEN1KMT2A
SCHEMBL4396970 0.90 KMT2A (0.48) SMN1; SMN2PPARACASRMLNRCHRM3
SCHEMBL4393805 0.85 CASR (0.62) CASR
Hydrochloric Acid SCHEMBL4400765 0.84 CASR (0.61) CASR
SCHEMBL4391777 0.83 CASR (0.53) SMN1; SMN2CASRALDH1A1TP53TSHR
SCHEMBL4401960 0.82 ALDH1A1 (0.47) SMN1; SMN2MLNRALDH1A1CHRM3RAB9A
SCHEMBL4391840 0.82 CHRM3 (0.48) SMN1; SMN2CASRCHRM3
SCHEMBL14472841 0.82 CASR (0.43) SMN1; SMN2CASRALDH1A1LMNATSHR
SCHEMBL4397067 0.82 CASR (0.59) CASR

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 SMN1; SMN2 1662/4885PPARA 3148/4885CASR 2192/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 SMN1; SMN2 2522/4885PPARA 2438/4885CASR 2483/4885

“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.