SCHEMBL4393261

SCHEMBL4393261

C=C(CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1)CN(C(=O)Nc1ccc(OC)cc1)[C@@H]1CCCC[C@@H]1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.43
KLK7 P49862 1/20 0.41
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
NPY5R Q15761 2/20 0.39
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
CCR5 P51681 3/20 0.38
CCR3 P51677 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CRHBP P24387 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4396974 1.00 CASR (0.43) CASRKLK7UBE2MDCUN1D1NPY5R
SCHEMBL4394374 0.91 CASR (0.53) CASRUBE2MDCUN1D1MEN1HTT
SCHEMBL4400561 0.91 CCR5 (0.47) CASRUBE2MDCUN1D1CCR5CCR3
SCHEMBL4393788 0.91 CCR5 (0.47) CASRUBE2MDCUN1D1CCR5CCR3
SCHEMBL4391795 0.84 CASR (0.60) CASRUBE2MDCUN1D1
SCHEMBL6700301 0.84 CASR (0.60) CASRUBE2MDCUN1D1
SCHEMBL4393251 0.82 CASR (0.40) CASRUBE2MDCUN1D1HTTCCR5
SCHEMBL4392169 0.82 CASR (0.40) CASRUBE2MDCUN1D1HTTCCR5
SCHEMBL4396578 0.82 CCR5 (0.36) CASRMEN1KMT2ACCR5
SCHEMBL4401034 0.82 CCR5 (0.36) CASRMEN1KMT2ACCR5

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 2192/4885KLK7 4489/4885UBE2M 640/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885KLK7 4411/4885UBE2M 536/4885

“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.