SCHEMBL4396914

SCHEMBL4396914

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.56
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.44
ANPEP P15144 1/20 0.44

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
SCHEMBL4398663 0.77 CASR (0.60) CASRKMT2AMEN1HPGDNPC1
SCHEMBL4394350 0.77 CASR (0.53) CASRKMT2AMEN1HPGDALDH1A1
SCHEMBL928742 0.77 CASR (0.61) CASR
SCHEMBL4394353 0.76 CASR (0.57) CASRKMT2AMEN1
SCHEMBL17773306 0.74 KMT2A (0.42) KMT2AHPGDNPC1RAB9AALDH1A1
SCHEMBL4727470 0.73 NPC1 (0.60) KMT2AMEN1NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL4399450 0.73 CASR (0.44) CASRKMT2AMEN1HPGDCRHBP
SCHEMBL2845619 0.72 NPC1 (0.49) CASRKMT2AMEN1NPC1RAB9A
SCHEMBL4396948 0.72 CASR (0.64) CASRNPC1RAB9AALDH1A1
SCHEMBL2438274 0.72 CASR (1.00) CASRKMT2AMEN1HPGDCRHBP

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 2192/4885KMT2A 3889/4885MEN1 3080/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885KMT2A 4161/4885MEN1 2571/4885

“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.