SCHEMBL23007649

SCHEMBL23007649

Cc1ccc(C(C)(C)CCC(C)(C)c2ccc(C(F)(F)F)nc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.42
PTGS2 P35354 2/20 0.36
VNN1 O95497 1/20 0.35
PTGS1 P23219 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
GAA P10253 1/20 0.34
SLC22A12 Q96S37 2/20 0.33
HDAC4 P56524 2/20 0.33
TKT P29401 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 2/20 0.32
TLR7 Q9NYK1 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GRIN2B Q13224 1/20 0.32
MAT2A P31153 1/20 0.32
CYP2C9 P11712 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31

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
SCHEMBL24962216 0.83 TRPV4 (0.44) TRPV4ALDH1A1PKMGAASLC22A12
SCHEMBL21123750 0.81 TRPV4 (0.42) TRPV4PTGS2PTGS1ALDH1A1PKM
SCHEMBL19388193 0.80 TRPV4 (0.47) TRPV4ALDH1A1PKMGAASLC22A12
SCHEMBL15121088 0.78 CNR2 (0.36)
SCHEMBL27024927 0.77 TSHR (0.34) ALDH1A1PKMGAA
SCHEMBL26278344 0.76 SCN8A (0.44) TRPV4
SCHEMBL77362 0.75 TRPV4 (0.54) TRPV4ALDH1A1GAASLC22A12CYP2C9
SCHEMBL21265931 0.75 GAA (0.34) PTGS2VNN1PTGS1GAASLC22A12
SCHEMBL29497438 0.74 KMT2A (0.47) ALDH1A1PKMGAAKDM4E
SCHEMBL27428 0.74 KMT2A (0.47) ALDH1A1PKMGAAKDM4E

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-11673864-B2 Pyridone amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-06-13 US disclosed
US-20210047271-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2021-02-18 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-20210047271-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, KCNJ2 TRPV4 60/4885PTGS2 428/4885VNN1 1685/4885
US-11673864-B2 Pyridone amides as modulators of sodium channels SCN5A, SCN1A, KCNJ2 TRPV4 60/4885PTGS2 428/4885VNN1 1685/4885

“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.