SCHEMBL6403047

SCHEMBL6403047

OC1CCN(c2ccccn2)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.50
CHI3L1 P36222 1/20 0.48
GRM1 Q13255 2/20 0.48
GRIN2B Q13224 2/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
USP30 Q70CQ3 1/20 0.46
PDE10A Q9Y233 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL8318328 1.00 PLD1 (0.50) PLD1CHI3L1GRM1GRIN2BGRIN2D
SCHEMBL29505439 0.90 GRM1 (0.49) PLD1GRM1KDM4E
SCHEMBL1245662 0.89 PLD1 (0.58) PLD1CHI3L1GPR119KDM4E
Trifluoroacetic Acid SCHEMBL4749328 0.87 DPP4 (0.60) GRM1GPR119KDM4E
SCHEMBL2294733 0.85 GRIN2B (0.55) PLD1GRM1GRIN2BGRIN2DGRIN3B
SCHEMBL30937159 0.85 GRIN2B (0.55) PLD1GRM1GRIN2BGRIN2DGRIN3B
SCHEMBL30146719 0.85 PDE10A (0.41) CHI3L1GRM1PDE10A
SCHEMBL16474292 0.81 PLD1 (0.51) PLD1GRM1GRIN2BGRIN2DGRIN3B
SCHEMBL23875675 0.79 GRM1 (0.51) PLD1GRM1GRIN2BGRIN2DGRIN3B
SCHEMBL8091809 0.79 GRM1 (0.51) PLD1GRM1GRIN2BGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 CN disclosed
WO-2023019912-A9 BENZOTRIAZINE DIOXIDE AND PHARMACEUTICAL COMPOSITION THEREOF 杭州瑞臻医药有限公司 2023-06-01 WO disclosed
WO-2023019912-A1 BENZOTRIAZINE DIOXIDE AND PHARMACEUTICAL COMPOSITION THEREOF 杭州瑞臻医药有限公司 2023-02-23 WO disclosed
CN-111333625-B Phenyl pyrrolidine compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-18 CN disclosed
CN-111333625-A Phenyl pyrrolidine compounds and uses thereof 湖北生物医药产业技术研究院有限公司 2020-06-26 CN disclosed
US-20050267156-A1 Broadspectrum 2-amino-benzothiazole sulfonamide hiv protease inhibitors TIBOTEC PHARMACEUTICALS LTD. 2005-12-01 US disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0974602-B1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR CORP (JP) 2004-01-02 EP disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
US-6291596-B1 CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT JSR CORPORATION (JP) 2001-09-18 US disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 PLD1 3466/4885CHI3L1 2722/4885GRM1 475/4885
US-20050267156-A1 Broadspectrum 2-amino-benzothiazole sulfonamide hiv protease inhibitors PRSS1, SPINT2, TMPRSS2 PLD1 2313/4885CHI3L1 2634/4885GRM1 2297/4885

“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.