SCHEMBL3905018

SCHEMBL3905018

CC(C)(C)OC(=O)N1CCc2cc(OCc3ccc(C(F)(F)F)c(C(F)(F)F)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SRD5A1 P18405 2/20 0.43
DHODH Q02127 1/20 0.42
GPR119 Q8TDV5 6/20 0.42
NOTUM Q6P988 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
GHSR Q92847 4/20 0.40
ROCK2 O75116 1/20 0.40
MPO P05164 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL3904297 0.90 GPR119 (0.41) POLBRXFP1SRD5A1DHODHGPR119
SCHEMBL3900759 0.88 S1PR1 (0.48) POLBRXFP1SRD5A1DHODHGPR119
SCHEMBL3905150 0.88 GHSR (0.45) POLBRXFP1SRD5A1DHODHMRGPRX4
SCHEMBL3912242 0.88 POLB (0.43) POLBRXFP1SRD5A1DHODHGPR119
SCHEMBL13598283 0.88 S1PR1 (0.51) GPR119GHSR
SCHEMBL3902357 0.87 S1PR1 (0.50) GPR119GHSR
SCHEMBL3907882 0.86 TACR1 (0.48) POLBRXFP1SRD5A1DHODHGPR119
SCHEMBL13957881 0.85 S1PR1 (0.42) POLBRXFP1SRD5A1DHODHGPR119
SCHEMBL3905080 0.85 SRD5A1 (0.44) POLBRXFP1SRD5A1DHODHGPR119
SCHEMBL3905087 0.83 PDK1 (0.54) SRD5A1DHODHGPR119NOTUMGHSR

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-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
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 POLB 4511/4885RXFP1 407/4885SRD5A1 689/4885

“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.