SCHEMBL6468236

SCHEMBL6468236

CCc1cccnc1OCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.46
CACNA1G O43497 6/20 0.44
CACNA1H O95180 6/20 0.44
KCNH2 Q12809 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
SCN9A Q15858 1/20 0.42
HCRTR1 O43613 7/20 0.42
HCRTR2 O43614 7/20 0.42
CACNA1I Q9P0X4 5/20 0.42
SLC13A5 Q86YT5 2/20 0.41
GPBAR1 Q8TDU6 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
SCHEMBL23344679 0.83 SCN9A (0.41) SSTR4CACNA1GCACNA1HKCNH2SCN5A
SCHEMBL3287500 0.83 SCN9A (0.42) CACNA1GCACNA1HKCNH2SCN5ASCN2A
SCHEMBL30931696 0.83 SCN9A (0.42) CACNA1GCACNA1HKCNH2SCN5ASCN2A
SCHEMBL18015821 0.80 MAOB (0.46)
SCHEMBL12948866 0.80 SLC13A5 (0.52) SSTR4SCN2ASCN10ASLC13A5
SCHEMBL13424282 0.79 SSTR4 (0.45) SSTR4SCN9AHCRTR1HCRTR2GPBAR1
SCHEMBL18726968 0.78 SCN9A (0.43) SSTR4CACNA1GCACNA1HKCNH2SCN5A
SCHEMBL24306108 0.78 GRM5 (0.47) SSTR4SCN9AHCRTR1HCRTR2
SCHEMBL31143575 0.77 RXRA (0.44) SSTR4KCNH2SCN5ASCN2ASCN10A
SCHEMBL28080928 0.77 RXRA (0.44) SSTR4KCNH2SCN5ASCN2ASCN10A

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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-20100093722-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-15 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 (2 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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 SSTR4 2021/4885CACNA1G 3114/4885CACNA1H 3208/4885
US-20100093722-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B SSTR4 1851/4885CACNA1G 2870/4885CACNA1H 2545/4885

“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.