SCHEMBL4396948

SCHEMBL4396948

Cc1ccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.64
CCR5 P51681 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MTOR P42345 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTR1E P28566 1/20 0.43
S1PR3 Q99500 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43

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
SCHEMBL4396887 0.88 CASR (0.65) CASRALDH1A1
SCHEMBL4394346 0.87 CASR (0.67) CASRALDH1A1SMN1; SMN2CNR1CNR2
SCHEMBL4397686 0.86 CASR (0.60) CASRCCR5HDAC1HDAC6MTOR
SCHEMBL4394030 0.83 CASR (0.59) CASRS1PR3
SCHEMBL4400563 0.82 CASR (0.69) CASRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4399207 0.81 CASR (0.82) CASRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4394252 0.80 CASR (0.52) CASRCCR5
SCHEMBL4400818 0.80 CASR (0.61) CASRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3638348 0.79 CASR (0.76) CASRALDH1A1NPC1RAB9A
SCHEMBL4394353 0.79 CASR (0.57) CASRCCR5

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 2192/4885CCR5 433/4885HDAC1 2676/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885CCR5 858/4885HDAC1 2827/4885

“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.