SCHEMBL17433286

SCHEMBL17433286

COc1cnc(OC(C)C)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.43
SCN9A Q15858 10/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
APEX1 P27695 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.36
RORC P51449 1/20 0.36
MAPK1 P28482 1/20 0.36
SCN5A Q14524 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NPBWR1 P48145 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL27928913 0.84 SCN9A (0.40) ACACBSCN9ALMNACYP2C9TSHR
SCHEMBL28051945 0.83 LMNA (0.47) ACACBSCN9ALMNACYP2C9TSHR
SCHEMBL17430824 0.81 SCN9A (0.39) ACACBSCN9ALMNACYP2C9TSHR
SCHEMBL17432902 0.80 TRPM8 (0.37) ACACBTRPM8
SCHEMBL15599222 0.78 S1PR1 (0.38) ACACBSCN9ALMNACYP2C9TSHR
SCHEMBL9379161 0.76 S1PR1 (0.37) ACACBSCN9ALMNACYP2C9TSHR
SCHEMBL364199 0.76 SCN9A (0.41) ACACBSCN9ALMNACYP2C9TSHR
SCHEMBL1293363 0.76 PLAU (0.39) ACACBSCN9ALMNACYP2C9TSHR
SCHEMBL13791681 0.76 NPSR1 (0.40) TRPM8
SCHEMBL13678329 0.76 RORC (0.40) ACACBSCN9ALMNACYP2C9TSHR

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
EP-3854782-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2021-07-28 EP disclosed
WO-2017172802-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-10-05 WO disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 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-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 ACACB 4750/4885SCN9A 1460/4885LMNA 712/4885

“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.