SCHEMBL23701853

SCHEMBL23701853

O=C(c1c(F)cccc1C(F)(F)F)N1CC=C(c2ccccc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.43
SCD5 Q86SK9 1/20 0.43
MAPT P10636 2/20 0.42
TRPV1 Q8NER1 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RORC P51449 3/20 0.41
MAPK14 Q16539 1/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
EPHX2 P34913 1/20 0.39
JAK1 P23458 1/20 0.39
LMNA P02545 1/20 0.39
SOS1 Q07889 1/20 0.38

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
SCHEMBL23733260 0.87 TRPV1 (0.39) SCDSCD5MAPTTRPV1RORC
SCHEMBL31050097 0.85 MAPT (0.37) SCDSCD5MAPTTRPV1RORC
SCHEMBL30186170 0.85 MAPT (0.37) SCDSCD5MAPTTRPV1RORC
SCHEMBL23064279 0.85 MAPT (0.37) SCDSCD5MAPTTRPV1RORC
SCHEMBL23064280 0.85 MAPT (0.37) SCDSCD5MAPTTRPV1RORC
SCHEMBL23064379 0.85 MAPT (0.37) SCDSCD5MAPTTRPV1RORC
SCHEMBL23283038 0.79 TRPV1 (0.39) SCDSCD5MAPTTRPV1EPHX2
SCHEMBL23064245 0.74 ALDH1A1 (0.48) SCDSCD5MAPTL3MBTL1CNR1
SCHEMBL3325476 0.73 MAPT (0.50) MAPTTRPV1L3MBTL1JAK1
SCHEMBL28895282 0.71 TRPV1 (0.43) SCDSCD5MAPTTRPV1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4364739-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND/OR TREATING KIDNEY INJURY, AND AUTOPHAGY ACTIVATOR OSAKA UNIVERSITY (JP) 2024-05-08 EP disclosed
EP-3789383-B9 INHIBITORS OF THE TRPC3 OR TRPC6 CHANNEL UNIV OSAKA (JP) 2024-02-28 EP disclosed
EP-3789383-B1 INHIBITORS OF THE TRPC3 OR TRPC6 CHANNEL UNIV OSAKA (JP) 2023-11-29 EP disclosed
US-11548882-B2 Benzisoxazole compound OSAKA UNIVERSITY (JP) 2023-01-10 US disclosed
US-20210238171-A1 BENZISOXAZOLE COMPOUND INTER-UNIVERSITY RESEARCH INSTITUTE CORPORATION NATIONAL INSTITUTES OF NATURAL SCIENCES (JP) 2021-08-05 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 (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-20210238171-A1 BENZISOXAZOLE COMPOUND CBR1, CYP2S1, CYP2E1 SCD 4229/4885SCD5 4333/4885MAPT 4874/4885
US-11548882-B2 Benzisoxazole compound CBR1, CYP2S1, CYP2E1 SCD 4229/4885SCD5 4333/4885MAPT 4874/4885

“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.