SCHEMBL4399207

SCHEMBL4399207

CC(C)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 16/20 0.82
ALDH1A1 P00352 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL4390118 0.90 CASR (1.00) CASRALDH1A1RAB9A
SCHEMBL2437625 0.86 CASR (0.65) CASRALDH1A1
SCHEMBL2434757 0.85 CASR (0.64) CASR
SCHEMBL3638348 0.84 CASR (0.76) CASRALDH1A1KDM4ENPC1MAPT
SCHEMBL4396948 0.81 CASR (0.64) CASRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4400563 0.80 CASR (0.69) CASRALDH1A1KDM4ENPC1MAPT
SCHEMBL4396887 0.79 CASR (0.65) CASRALDH1A1
SCHEMBL4400818 0.78 CASR (0.61) CASRALDH1A1NPC1MAPTRAB9A
SCHEMBL4394346 0.78 CASR (0.67) CASRALDH1A1NPC1MAPTRAB9A
SCHEMBL926177 0.77 CASR (1.00) 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 CASR 2192/4885ALDH1A1 3828/4885KDM4E 2705/4885
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 3190/4885KDM4E 2000/4885

“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.