SCHEMBL4394346

SCHEMBL4394346

COc1ccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.67
NPY5R Q15761 2/20 0.55
HTT P42858 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CRHBP P24387 1/20 0.49
CYP2C19 P33261 1/20 0.49
CRHR2 Q13324 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
KLK7 P49862 3/20 0.48
GAA P10253 1/20 0.47

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 0.92 CASR (0.65) CASRNPY5RALDH1A1
SCHEMBL3638348 0.88 CASR (0.76) CASRHTTMEN1KMT2ALMNA
SCHEMBL4396948 0.87 CASR (0.64) CASRALDH1A1FNTAFNTBCNR1
SCHEMBL4394030 0.87 CASR (0.59) CASRNPY5RHTTMAPTGAA
SCHEMBL4400563 0.85 CASR (0.69) CASRHTTMEN1KMT2ALMNA
SCHEMBL4398663 0.84 CASR (0.60) CASRHTTMEN1KMT2ALMNA
SCHEMBL4397686 0.83 CASR (0.60) CASRLMNANPSR1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL4395794 0.82 CASR (0.65) CASRHTTMEN1KMT2ALMNA
SCHEMBL5025964 0.82 CASR (0.60) CASRNPY5RHTTMEN1KMT2A
SCHEMBL4390118 0.80 CASR (1.00) CASRALDH1A1HPGDRAB9A

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 47/4885HTT 2354/4885
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 23/4885HTT 2202/4885

“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.