SCHEMBL25090455

SCHEMBL25090455

FC(F)(F)c1cc(CCBr)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
GPR84 Q9NQS5 2/20 0.50
PYCR1 P32322 1/20 0.48
TRPV1 Q8NER1 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
KDR P35968 1/20 0.41
DAO P14920 1/20 0.39
NOTUM Q6P988 1/20 0.39
ABCB11 O95342 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRL1 P41146 2/20 0.38
OPRM1 P35372 1/20 0.38
LMNA P02545 1/20 0.38
P2RX7 Q99572 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
SCHEMBL30201341 1.00 IDO1 (0.57) IDO1GPR84PYCR1TRPV1HTR3E
SCHEMBL11707484 0.89 GPR84 (0.55) IDO1GPR84PYCR1TRPV1HTR3E
SCHEMBL31731921 0.85 IDO1 (0.61) IDO1GPR84PYCR1HTR3EHTR3B
SCHEMBL120051 0.85 IDO1 (0.61) IDO1GPR84PYCR1HTR3EHTR3B
SCHEMBL9905577 0.82 PLA2G7 (0.48) IDO1GPR84KDR
SCHEMBL27687280 0.81 IDO1 (0.62) IDO1GPR84PYCR1TRPV1HTR3E
SCHEMBL2600197 0.81 IDO1 (0.57) IDO1GPR84PYCR1TRPV1HTR3E
SCHEMBL5722021 0.81 TRPV1 (0.58) IDO1GPR84PYCR1TRPV1HTR3E
SCHEMBL16571434 0.81 IDO1 (0.62) IDO1GPR84PYCR1TRPV1HTR3E
SCHEMBL10656615 0.80 IDO1 (0.65) IDO1GPR84PYCR1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2024-07-18 US disclosed
US-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2024-07-18 US disclosed
US-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2024-07-18 US disclosed
WO-2023028056-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-03-02 WO disclosed
WO-2023028056-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-03-02 WO disclosed
CN-102197038-B Substituted tricyclic acid derivatives as S1P1 receptor agonists for the treatment of autoimmune and inflammatory disorders ARENA PHARMACEUTICALS, INC. (US) 2016-04-20 CN disclosed
CN-102197038-A Substituted tricyclic acid derivatives as S1P1 receptor agonists for the treatment of autoimmune and inflammatory disorders ARENA PHARM INC 2011-09-21 CN disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-1993323-B Indole, indazole or indoline derivatives HOFFMANN LA ROCHE 2011-04-20 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
CN-101379022-A Benzamide and heteroarene derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
CN-101220024-A A set of anti-cancer compound restraining kinase XIAOMIN DU (CN) 2008-07-16 CN disclosed
CN-1993323-A Indole, indazole or indoline derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed
CN-1649820-A Compounds that modulate PPAR activity and methods for preparing the same WARNER LAMBERT CO (US) 2005-08-03 CN 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-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS CACNA1E, TRPV1, SCN3A IDO1 3864/4885GPR84 798/4885PYCR1 1793/4885

“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.