SCHEMBL4395802

SCHEMBL4395802

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.42
SIGMAR1 Q99720 2/20 0.39
OPRD1 P41143 3/20 0.39
OPRM1 P35372 2/20 0.39
OPRK1 P41145 1/20 0.39
QRFPR Q96P65 1/20 0.37
EPHX2 P34913 2/20 0.35
NPC1 O15118 1/20 0.35
CCR5 P51681 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
SCHEMBL4397159 0.90 CASR (0.40) CASRSIGMAR1OPRD1OPRM1OPRK1
SCHEMBL4399312 0.86 CASR (0.42) CASRSIGMAR1CCR5
SCHEMBL4393787 0.84 CASR (0.42) CASRCCR5
SCHEMBL4391532 0.84 CASR (0.49) CASRCCR5
SCHEMBL4393246 0.82 ADAM17 (0.41) CASR
Hydrochloric Acid SCHEMBL4403194 0.81 CASR (0.50) CASR
SCHEMBL4389977 0.80 CASR (0.53) CASR
SCHEMBL4397067 0.80 CASR (0.59) CASR
SCHEMBL4394376 0.80 CCR5 (0.51) CASRNPC1CCR5
SCHEMBL4391784 0.80 CASR (0.51) 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 2192/4885SIGMAR1 12/4885OPRD1 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 2483/4885SIGMAR1 18/4885OPRD1 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.