SCHEMBL30668359

SCHEMBL30668359

O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(-c2ccc3[nH]cc(C(=O)O)c3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
ABL1 P00519 1/20 0.46
NHERF1 O14745 2/20 0.45
NR1H4 Q96RI1 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
STING1 Q86WV6 1/20 0.43
SCN9A Q15858 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
CNR1 P21554 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
UGCG Q16739 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CTSA P10619 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL17136714 1.00 CNR2 (0.47) CNR2ABL1NHERF1NR1H4TRPV1
SCHEMBL17136788 0.92 ABL1 (0.45) CNR2ABL1TRPV1STING1SCN9A
SCHEMBL17136952 0.87 CNR2 (0.43) CNR2ABL1NR1H4TRPV1STING1
SCHEMBL17136839 0.83 SCN9A (0.43) CNR2ABL1SCN9ASCN10ACNR1
SCHEMBL30668339 0.83 SCN9A (0.43) CNR2ABL1SCN9ASCN10ACNR1
SCHEMBL17136840 0.83 SCN9A (0.43) CNR2ABL1SCN9ASCN10ACNR1
SCHEMBL17137021 0.82 ESR1 (0.53) CNR2ABL1TRPV1SCN10ACNR1
SCHEMBL30668348 0.82 ESR1 (0.53) CNR2ABL1TRPV1SCN10ACNR1
SCHEMBL30668358 0.80 JAK3 (0.53) ROCK2ROCK1NPC1RAB9AMEN1
SCHEMBL17136773 0.80 JAK3 (0.53) ROCK2ROCK1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834447-B2 Indole derivatives and use thereof PURDUE PHARMA L.P. (US) 2023-12-05 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-11834447-B2 Indole derivatives and use thereof TRPC4, TRPV4, TRPV1 CNR2 99/4885ABL1 503/4885NHERF1 114/4885

“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.