SCHEMBL4403153

SCHEMBL4403153

CCCNC(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.48
HTR1A P08908 1/20 0.44
CYP2D6 P10635 1/20 0.44
SCN1A P35498 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN2A Q99250 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SCN3A Q9NY46 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KIF11 P52732 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
MAPK1 P28482 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
NR3C2 P08235 1/20 0.37
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8697311 0.86 SIGMAR1 (0.46) KCNN4HTTSIGMAR1ALDH1A1
SCHEMBL6891739 0.83 KCNN4 (0.48) KCNN4HTR1ACYP2D6SCN1ASLC6A3
SCHEMBL28491510 0.81 KIF11 (0.64) KCNN4KIF11TAAR1MAPK1
SCHEMBL8961063 0.80 KCNN4 (0.68) KCNN4HTR1ACYP2D6SCN1ASLC6A3
SCHEMBL3956335 0.79 KCNN4 (0.45) KCNN4HTR1ACYP2D6SCN1ASLC6A3
SCHEMBL3954586 0.76 KCNN4 (0.42) KCNN4HTR1ACYP2D6SCN1ASLC6A3
SCHEMBL11328818 0.74 KCNN4 (0.44) KCNN4HTR1ACYP2D6SCN1ASLC6A3
SCHEMBL3982825 0.72 CYP2C19 (0.53) KCNN4MAPK1CYP2C19HIF1AKMT2A
SCHEMBL4561565 0.71 HTT (0.49) KCNN4HTR1ACYP2D6SCN1ASLC6A3
SCHEMBL11922815 0.71 KCNN4 (0.45) KCNN4LMNAHTTL3MBTL1KIF11

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 5 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
EP-1358171-A2 NOVEL UREA DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE Aventis Pharma S.A. (FR) 2003-11-05 EP disclosed
WO-2002059102-A2 UREA DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE AVENTIS PHARMA S.A. (FR) 2002-08-01 WO 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 KCNN4 2234/4885HTR1A 3266/4885CYP2D6 306/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 KCNN4 2083/4885HTR1A 2733/4885CYP2D6 189/4885

“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.