SCHEMBL26315401

SCHEMBL26315401

CC(C)(C)c1ccc2c(c1)NC(CC(C)(C)c1ccc3c(c1)OCCN3)CO2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.42
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
CYP19A1 P11511 1/20 0.31
IDH1 O75874 1/20 0.30

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
SCHEMBL20687589 0.87 GAA (0.43) TRPV1GAAALDH1A1MAPTHSD17B10
SCHEMBL760553 0.79 TRPV1 (0.55) TRPV1GAAALDH1A1MAPTHSD17B10
SCHEMBL19981077 0.77 HRH3 (0.32) CYP19A1
SCHEMBL8258292 0.76 ALDH1A1 (0.62) TRPV1GAAALDH1A1MAPTHSD17B10
SCHEMBL16193913 0.74 CYP19A1 (0.39) TRPV1GAAALDH1A1MAPTHSD17B10
SCHEMBL13265519 0.74 TRPV1 (0.46) TRPV1GAAALDH1A1MAPTHSD17B10
SCHEMBL24956776 0.72 KDM4E (0.35) TRPV1MAPT
SCHEMBL20272779 0.72 TRPV1 (0.41) TRPV1GAAALDH1A1MAPTHSD17B10
SCHEMBL15828681 0.71 CYP19A1 (0.36) TRPV1GAAALDH1A1CYP19A1
SCHEMBL20228033 0.71 TRPV1 (0.46) TRPV1GAAALDH1A1MAPTHSD17B10

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-20230278993-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2023-09-07 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-20230278993-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDCD1, CD274, PDCD1LG2 TRPV1 129/4885GAA 2237/4885ALDH1A1 216/4885

“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.