SCHEMBL31180100

SCHEMBL31180100

COc1nc2c(cc1Br)CCCO2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 1/20 0.34
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
OGA O60502 1/20 0.31

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
SCHEMBL31180237 0.95 GRM1 (0.35) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL10287327 0.70 ACHE (0.31) ACHEHTR2AHTR2CHTR2B
SCHEMBL31180249 0.69 HTR2A (0.32) GRM1HTR2AHTR2CHTR2B
SCHEMBL10286894 0.69 ALDH1A1 (0.35) HTR2AHTR2CHTR2B
SCHEMBL2407668 0.68 ACHE (0.36) ACHE
SCHEMBL25257298 0.68 ACHE (0.39) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL32680184 0.68 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL17450949 0.67 CA2 (0.42)
SCHEMBL26628020 0.66 GRM1 (0.43) GRM1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL31180162 0.66

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
EP-4703362-A1 COMPOUND CONTAINING OXO-PYRIDO-ALIPHATIC RING OR ALIPHATIC HETEROCYCLIC STRUCTURE, AND MEDICAL USE THEREOF Chengdu Sibeibo Pharmaceutical Technology Co., Ltd (CN) 2026-03-04 EP disclosed
WO-2025061141-A1 PHARMACEUTICAL COMPOSITION HAVING IMPROVED PHARMACOKINETIC PROPERTIES 成都思倍博医药科技有限公司 2025-03-27 WO disclosed
WO-2024222889-A1 COMPOUND CONTAINING OXO-PYRIDO-ALIPHATIC RING OR ALIPHATIC HETEROCYCLIC STRUCTURE, AND MEDICAL USE THEREOF 成都思倍博医药科技有限公司 2024-10-31 WO disclosed