SCHEMBL3913360

SCHEMBL3913360

OCc1cn(C2CCCC2)nc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.46
DGAT1 O75907 1/20 0.41
ACHE P22303 3/20 0.39
GRIA2 P42262 12/20 0.36
NTRK1 P04629 2/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33

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
SCHEMBL3900782 0.98 MPO (0.47) MPODGAT1ACHEGRIA2NTRK1
SCHEMBL12984693 0.94 MPO (0.40) MPODGAT1ACHEGRIA2NTRK1
SCHEMBL17979144 0.87 MPO (0.37) MPODGAT1GRIA2NTRK1
SCHEMBL13955092 0.87 MPO (0.39) MPOGRIA2
SCHEMBL13598338 0.84 MPO (0.46) MPODGAT1ACHENTRK1ABL1
SCHEMBL13598336 0.83 MPO (0.47) MPODGAT1ACHENTRK1ABL1
SCHEMBL13195465 0.78 MPO (0.42) MPODGAT1NTRK1
SCHEMBL18018477 0.76 MPO (0.43) MPODGAT1ACHENTRK1ABL1
SCHEMBL3684845 0.76 GPR119 (0.38) DGAT1GRIA2
SCHEMBL12985784 0.76 NTRK1 (0.42) MPODGAT1ACHENTRK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 MPO 4208/4885DGAT1 498/4885ACHE 4587/4885

“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.