SCHEMBL17099352

SCHEMBL17099352

COc1ccc(CN(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.55
IDO1 P14902 3/20 0.52
PYCR1 P32322 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
AGXT P21549 2/20 0.48
LTA4H P09960 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
AOC3 Q16853 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL5270803 0.81 APLNR (0.59) APLNRIDO1PYCR1CA12CA1
SCHEMBL12049800 0.81 APLNR (0.59) APLNRIDO1PYCR1CA12CA1
SCHEMBL1376791 0.80 HRH3 (0.41) IDO1PYCR1ALDH1A1TAAR1AOC3
SCHEMBL4611890 0.79 PYCR1 (0.69) APLNRIDO1PYCR1CA12CA1
SCHEMBL385286 0.79 HRH3 (0.58) APLNRIDO1PYCR1CA12CA1
SCHEMBL14393820 0.78 APLNR (0.56) APLNRIDO1PYCR1CA12CA1
SCHEMBL4513604 0.78 PYCR1 (0.62) APLNRIDO1PYCR1ALDH1A1SMN1; SMN2
SCHEMBL19204903 0.77 APLNR (0.55) APLNRIDO1PYCR1CA12CA1
SCHEMBL7345643 0.77 AOC3 (0.58) APLNRIDO1PYCR1CA12CA1
SCHEMBL7047446 0.77 APLNR (0.55) APLNRIDO1PYCR1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 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-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A APLNR 2774/4885IDO1 4379/4885PYCR1 2904/4885

“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.