SCHEMBL20011091

SCHEMBL20011091

Fc1ccc(C2CCC3(CC2)OCCO3)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.39
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
IDO1 P14902 1/20 0.34
PDE10A Q9Y233 7/20 0.33
OPRL1 P41146 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 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
SCHEMBL11940791 0.89 HTR2C (0.40) TRPV3IDO1PDE10AOPRL1
SCHEMBL29487568 0.89 HTR2C (0.40) TRPV3IDO1PDE10AOPRL1
SCHEMBL12906947 0.84 PDE10A (0.33) TRPV3IDO1PDE10A
SCHEMBL10091334 0.84 PDE10A (0.36) TRPV3IDO1PDE10AOPRL1ALDH1A1
SCHEMBL24497738 0.81 TRPV3 (0.42) TRPV3NPC1RAB9AIDO1ALDH1A1
SCHEMBL22857372 0.81 TRPV3 (0.37) TRPV3NPC1RAB9AIDO1PDE10A
SCHEMBL12716556 0.80 TRPV3 (0.31) TRPV3PDE10A
SCHEMBL15722917 0.80 HTR2C (0.36) TRPV3NPC1RAB9AIDO1PDE10A
SCHEMBL17542866 0.80 OPRL1 (0.47) TRPV3NPC1RAB9AOPRL1ALDH1A1
SCHEMBL29932014 0.80 OPRL1 (0.47) TRPV3NPC1RAB9AOPRL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10882856-B2 5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases BEIGENE, LTD. (KY) 2021-01-05 US disclosed
US-10882856-B2 5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases BEIGENE, LTD. (KY) 2021-01-05 US disclosed
WO-2018054365-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2018-03-29 WO 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-10882856-B2 5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases IDO1, TPH1, IDO2 TRPV3 1958/4885NPC1 3887/4885RAB9A 2511/4885

“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.