SCHEMBL4397560

SCHEMBL4397560

C=C(CN1CCNCC1)CN(CCN(CC)c1cccc(C)c1)C(=O)Nc1cccc(C(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 9/20 0.49
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRM3 P20309 2/20 0.39
LMNA P02545 3/20 0.38
TSHR P16473 1/20 0.38
GPR17 Q13304 1/20 0.37
MAPT P10636 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
SCHEMBL4399090 0.90 DRD4 (0.43) CASRALDH1A1SMN1; SMN2CHRM3TSHR
SCHEMBL4401977 0.88 MAPT (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2CHRM3
SCHEMBL4393930 0.86 CASR (0.57) CASRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4397564 0.83 CASR (0.49) CASRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4397565 0.82 CASR (0.54) CASRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4391850 0.80 CASR (0.75) CASR
SCHEMBL4396611 0.80 CASR (0.61) CASRALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4391772 0.80 CASR (0.74) CASR
SCHEMBL4392178 0.80 CASR (0.52) CASRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4397690 0.79 CHRM3 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2CHRM3

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 2192/4885ALDH1A1 3828/4885MEN1 3080/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885ALDH1A1 3190/4885MEN1 2571/4885

“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.