SCHEMBL4393787

SCHEMBL4393787

C=C(CN1CCCNCC1)CN(CCC(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.42
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TACR1 P25103 1/20 0.38
SLC6A3 Q01959 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CCR5 P51681 1/20 0.35
CXCR4 P61073 1/20 0.35

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
Hydrochloric Acid SCHEMBL4399450 0.96 CASR (0.44) CASRSLC6A2SLC6A4MEN1KMT2A
SCHEMBL4395802 0.84 CASR (0.42) CASRCCR5
SCHEMBL4401054 0.84 HTT (0.40) KMT2A
SCHEMBL4397159 0.84 CASR (0.40) CASRSLC6A2SLC6A4SLC6A3CCR5
SCHEMBL4389926 0.83 CHRM3 (0.44) CASRSLC6A2SLC6A4TACR1CCR5
SCHEMBL4396946 0.83 CASR (0.47) CASR
SCHEMBL4389977 0.81 CASR (0.53) CASR
SCHEMBL4397197 0.81 KDM1A (0.40) CASRCCR5
SCHEMBL4399312 0.80 CASR (0.42) CASRSLC6A4MEN1KMT2ACCR5
SCHEMBL4391532 0.80 CASR (0.49) 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 2192/4885SLC6A2 1843/4885SLC6A4 3244/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885SLC6A2 2864/4885SLC6A4 2764/4885

“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.