SCHEMBL402428

SCHEMBL402428

COC(=O)N1CCN(CCc2cccc(NC(=O)Nc3cccnc3)c2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.49
DRD2 P14416 2/20 0.49
AHR P35869 1/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CCR3 P51677 4/20 0.46
EPHX2 P34913 1/20 0.44
FAAH O00519 3/20 0.44
TAAR1 Q96RJ0 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL399571 0.95 EPHX2 (0.47) HTR1ADRD2AHRKDM4EHSD17B10
SCHEMBL4011055 0.91 HTR1A (0.53) HTR1ADRD2AHRKDM4EHSD17B10
SCHEMBL402102 0.91 AHR (0.49) HTR1ADRD2AHRKDM4EHSD17B10
SCHEMBL401903 0.89 EPHX2 (0.45) HTR1ADRD2AHRKDM4EHSD17B10
SCHEMBL402436 0.84 ALDH1A1 (0.52) AHRKDM4EHSD17B10FAAHTAAR1
SCHEMBL401118 0.83 DDX3X (0.42) HTR1ACCR3EPHX2
SCHEMBL402439 0.83 KEAP1 (0.49) AHRKDM4EHSD17B10FAAHTAAR1
SCHEMBL402492 0.83 RORC (0.49) HTR1ADRD2AHRKDM4EHSD17B10
SCHEMBL402946 0.82 FAAH (0.49) HTR1ADRD2AHRKDM4EHSD17B10
SCHEMBL402505 0.80 RORC (0.47) HTR1ADRD2AHRKDM4EHSD17B10

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
EP-1765327-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2009-06-17 EP claimed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 EP claimed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO claimed
US-8101617-B2 Disubstituted ureas and uses thereof in treating heart failure AMGEN, INC. (US) 2012-01-24 US disclosed
US-20090099198-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-04-16 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 (1 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-20090099198-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 HTR1A 3992/4885DRD2 4679/4885AHR 4674/4885

“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.