SCHEMBL19853526

SCHEMBL19853526

Cc1ccc(CCc2ccc(C)c(Cl)c2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTR2A P28223 2/20 0.36
KCNH2 Q12809 2/20 0.36
SLC6A4 P31645 1/20 0.36
PNMT P11086 1/20 0.36
P2RX7 Q99572 1/20 0.35
HTR2C P28335 1/20 0.35
DAO P14920 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
OPRM1 P35372 1/20 0.34
CYP3A4 P08684 1/20 0.34
SOS1 Q07889 2/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90B1 P14625 2/20 0.33
TRAP1 Q12931 2/20 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
SCHEMBL24394493 0.89 PNMT (0.49) TAAR1ALDH1A1HTR2AKCNH2SLC6A4
SCHEMBL18553014 0.85 TAAR1 (0.38) TAAR1ALDH1A1NPSR1HTR2AKCNH2
SCHEMBL27113154 0.85 TAAR1 (0.42) TAAR1HTR2ASLC6A4HTR2CDAO
SCHEMBL12400878 0.85 TAAR1 (0.38) TAAR1ALDH1A1NPSR1HTR2AKCNH2
SCHEMBL18890829 0.82 TAAR1 (0.45) TAAR1HTR2AKCNH2HTR2CDAO
SCHEMBL19335895 0.81 TAAR1 (0.48) TAAR1HTR2AKCNH2HTR2CDAO
SCHEMBL18901756 0.81 TAAR1 (0.39) TAAR1HTR2ASLC6A4HTR2CDAO
SCHEMBL19807365 0.81 ALDH1A1 (0.38) TAAR1ALDH1A1NPSR1SLC6A4PNMT
SCHEMBL18553016 0.79 TAAR1 (0.45) TAAR1ALDH1A1NPSR1KCNH2PNMT
SCHEMBL18590775 0.79 TAAR1 (0.45) TAAR1HTR2AP2RX7DAOFFAR1

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-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 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-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 TAAR1 4680/4885ALDH1A1 2339/4885NPSR1 2795/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 TAAR1 4680/4885ALDH1A1 2339/4885NPSR1 2795/4885

“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.