SCHEMBL958644

SCHEMBL958644

N#CCc1c(F)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
GAA P10253 1/20 0.52
HTT P42858 2/20 0.46
ATM Q13315 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BACE1 P56817 1/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2A13 Q16696 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
DAO P14920 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL29464291 1.00 TAAR1 (0.55) TAAR1GAAHTTATMNPSR1
SCHEMBL779716 0.85 TAAR1 (0.44) TAAR1GAAHTTNPSR1TDP1
SCHEMBL1008876 0.85 TAAR1 (0.39) TAAR1GAAATMTDP1KMT2A
SCHEMBL14127180 0.82 TAAR1 (0.57) TAAR1GAAHTTATMNPSR1
SCHEMBL6388715 0.82 TAAR1 (0.57) TAAR1GAAHTTATMNPSR1
SCHEMBL2032212 0.81 TAAR1 (0.61) TAAR1GAAHTTATMNPSR1
SCHEMBL31454642 0.80 MEN1 (0.34) TAAR1GAAATMTDP1KMT2A
SCHEMBL1627070 0.80 TAAR1 (0.38) TAAR1GAAHTTNPSR1TDP1
SCHEMBL31454481 0.80 TAAR1 (0.38) TAAR1GAAHTTNPSR1TDP1
SCHEMBL1294116 0.78 GRIA1 (0.43) TAAR1HTTKMT2AMEN1ALDH1A1

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 115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368092-A1 2,4-Dihydro-3H-1,2,4-Triazol-3-One P2X7 Antagonists BREYE THERAPEUTICS APS (DK) 2024-11-07 US disclosed
EP-4396181-A1 2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE P2X7 ANTAGONISTS Breye Therapeutics ApS (DK) 2024-07-10 EP disclosed
CN-117881675-A 2, 4-dihydro-3H-1, 2, 4-triazol-3-one P2X7 antagonists 布雷耶疗法有限公司 2024-04-12 CN disclosed
CN-116804004-A Compounds as DHODH inhibitors 南京征祥医药有限公司 2023-09-26 CN disclosed
US-20230271943-A1 COMPOUNDS AS DHODH INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2023-08-31 US disclosed
US-20230271943-A1 COMPOUNDS AS DHODH INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2023-08-31 US disclosed
CN-116457343-A Compounds as DHODH inhibitors 南京征祥医药有限公司 2023-07-18 CN disclosed
EP-4185577-A1 COMPOUNDS AS DHODH INHIBITORS Nanjing Zenshine Pharmaceuticals Co., Ltd. (CN) 2023-05-31 EP disclosed
CN-111253404-B Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof 上海医药集团股份有限公司 2023-05-23 CN disclosed
US-11623919-B2 Heterocyclic P2X7 antagonists BREYE THERAPEUTICS APS (DK) 2023-04-11 US disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed
EP-0251775-B1 ALPHA-ARYL-ALPHA-PHENYLETHYL-1H-1,2,4-TRIAZOLE-1-PROPANENITRILES ROHM AND HAAS COMPANY (US) 1993-01-20 EP disclosed
EP-0349358-B1 PROCESS FOR PRESULFIDING AND CONTROLLING THE ACTIVITY OF A HYDROCARBON TREATMENT CATALYST EURECAT EUROPEENNE DE RETRAITEMENT DE CATALYSEURS (FR) 1992-03-04 EP disclosed
US-5087635-A Funcicides ROHM AND HAAS COMPANY (US) 1992-02-11 US disclosed
US-5059731-A Selectively hydrogenating acetylenic and diolefinic hydrocarbons EUROPEANE DE RETRAITEMENT DE CATALYSEURS EURECAT (FR) 1991-10-22 US disclosed
US-4983559-A CATALYTIC REGENERATION EUROPEENE DE RETRAITEMENT DE CATALYSEURS EURECAT (FR) 1991-01-08 US disclosed
EP-0349358-A1 Process for presulfiding and controlling the activity of a hydrocarbon treatment catalyst EURECAT EUROPEENNE DE RETRAITEMENT DE CATALYSEURS (FR) 1990-01-03 EP disclosed
EP-0251775-A2 Alpha-aryl-alpha-phenylethyl-1H-1,2,4-triazole-1-propanenitriles ROHM AND HAAS COMPANY (US) 1988-01-07 EP disclosed
US-4399076-A 1,1-Disubstituted 2-vinyl- and 2-ethylcyclopropanes NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1983-08-16 US disclosed
US-4369322-A WITH CYANOGEN CHLORIDE DEGUSSA AG (DE) 1983-01-18 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 (3 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-11623919-B2 Heterocyclic P2X7 antagonists P2RY1, P2RX1, P2RX3 TAAR1 240/4885GAA 4101/4885HTT 835/4885
US-20230271943-A1 COMPOUNDS AS DHODH INHIBITORS DHODH, DLD, DHRS9 TAAR1 4107/4885GAA 273/4885HTT 539/4885
US-20240368092-A1 2,4-Dihydro-3H-1,2,4-Triazol-3-One P2X7 Antagonists P2RX3, P2RX7, P2RX2 TAAR1 666/4885GAA 3011/4885HTT 1626/4885

“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.