SCHEMBL5718862

SCHEMBL5718862

[CH2]COC1C=Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.39
HTR2A P28223 2/20 0.38
HTR6 P50406 1/20 0.38
SIGMAR1 Q99720 6/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL4516491 0.81 RET (0.42) RETHTR2AHTR6SIGMAR1KDM4E
SCHEMBL23722666 0.80 CYP3A4 (0.36) RETHTR2AHTR6SIGMAR1KDM4E
SCHEMBL29434193 0.78 RET (0.44) RETHTR2AHTR6SIGMAR1KDM4E
SCHEMBL1680358 0.78 HTR2A (0.38) RETHTR2AHTR6SIGMAR1KDM4E
SCHEMBL29672995 0.75 PTGDR2 (0.41) RETHTR2AHTR6KDM4ELMNA
SCHEMBL29815940 0.75 EYA2 (0.43) RETHTR2AHTR6SIGMAR1KDM4E
SCHEMBL4506450 0.75 EYA2 (0.43) RETHTR2AHTR6SIGMAR1KDM4E
SCHEMBL11079827 0.74 TDP1 (0.42) RETHTR2AHTR6TP53CYP3A4
SCHEMBL5031539 0.74 EYA2 (0.48) RETHTR2AHTR6SIGMAR1KDM4E
SCHEMBL5036828 0.74 RET (0.41) RETHTR2AHTR6SIGMAR1KDM4E

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-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US disclosed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US disclosed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 RET 857/4885HTR2A 1359/4885HTR6 548/4885

“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.