SCHEMBL4396887

SCHEMBL4396887

CC(C)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.65
NPY5R Q15761 15/20 0.57
NPY2R P49146 1/20 0.54
ALDH1A1 P00352 1/20 0.52
LTA4H P09960 1/20 0.50

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
SCHEMBL4394346 0.92 CASR (0.67) CASRNPY5RALDH1A1
SCHEMBL4396948 0.88 CASR (0.64) CASRALDH1A1
SCHEMBL4394030 0.88 CASR (0.59) CASRNPY5RLTA4H
SCHEMBL3638348 0.84 CASR (0.76) CASRALDH1A1
SCHEMBL4397686 0.84 CASR (0.60) CASR
SCHEMBL4400563 0.82 CASR (0.69) CASRALDH1A1
SCHEMBL4399207 0.79 CASR (0.82) CASRALDH1A1
Hydrochloric Acid SCHEMBL4395794 0.79 CASR (0.65) CASRALDH1A1
SCHEMBL4390118 0.79 CASR (1.00) CASRALDH1A1
SCHEMBL4400818 0.78 CASR (0.61) CASRALDH1A1

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 2192/4885NPY5R 47/4885NPY2R 117/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885NPY5R 23/4885NPY2R 300/4885

“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.