SCHEMBL30668348

SCHEMBL30668348

O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(-c2ccc3[nH]ccc3c2)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.53
EPHX2 P34913 2/20 0.48
CNR2 P34972 2/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 3/20 0.48
UGCG Q16739 1/20 0.47
ABL1 P00519 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.46
CNR1 P21554 1/20 0.45

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
SCHEMBL17137021 1.00 ESR1 (0.53) ESR1EPHX2CNR2NPC1RAB9A
SCHEMBL17136773 0.85 JAK3 (0.53) NPC1RAB9A
SCHEMBL30668358 0.85 JAK3 (0.53) NPC1RAB9A
SCHEMBL17136714 0.82 CNR2 (0.47) CNR2NPC1RAB9AMAPTUGCG
SCHEMBL30668359 0.82 CNR2 (0.47) CNR2NPC1RAB9AMAPTUGCG
SCHEMBL30668308 0.81 SCN9A (0.42) ESR1EPHX2
SCHEMBL17136910 0.81 SCN9A (0.42) ESR1EPHX2
SCHEMBL17136952 0.80 CNR2 (0.43) CNR2MAPTUGCGABL1TRPV1
SCHEMBL17136788 0.80 ABL1 (0.45) CNR2MAPTUGCGABL1TRPV1
SCHEMBL17136963 0.80 CNR2 (0.50) CNR2MAPTUGCGABL1TRPV1

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 ESR1 2332/4885EPHX2 3631/4885CNR2 99/4885

“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.