SCHEMBL4397159

SCHEMBL4397159

C=C(CN1CCCNCC1)CN(CCC(c1ccccc1)c1ccccc1)C(=O)NCCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.40
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MLNR O43193 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
SLC6A4 P31645 2/20 0.35
GAA P10253 1/20 0.35
EPHX2 P34913 4/20 0.35
CXCR4 P61073 1/20 0.35
QRFPR Q96P65 1/20 0.35
EGFR P00533 1/20 0.35
CCR5 P51681 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL4399312 0.96 CASR (0.42) CASRMLNRSIGMAR1SLC6A4GAA
SCHEMBL4395802 0.90 CASR (0.42) CASROPRM1OPRD1OPRK1SIGMAR1
SCHEMBL4397200 0.87 SIGMAR1 (0.39) OPRM1OPRD1SIGMAR1SLC6A4GAA
SCHEMBL4393246 0.84 ADAM17 (0.41) CASR
SCHEMBL4393787 0.84 CASR (0.42) CASRSLC6A4CXCR4CCR5SLC6A2
SCHEMBL4389926 0.82 CHRM3 (0.44) CASRSLC6A4CCR5SLC6A2
SCHEMBL4391532 0.82 CASR (0.49) CASRCCR5
SCHEMBL4389977 0.80 CASR (0.53) CASR
SCHEMBL4401960 0.80 ALDH1A1 (0.47) MLNRSIGMAR1GAA
SCHEMBL4397695 0.80 CHRM3 (0.37) CASRMLNREPHX2QRFPRCCR5

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 2192/4885OPRM1 80/4885OPRD1 156/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885OPRM1 82/4885OPRD1 245/4885

“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.