SCHEMBL333905

SCHEMBL333905

CC(C)(C)[Si](C)(C)OCCc1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
IDO1 P14902 2/20 0.45
AGXT P21549 2/20 0.45
MAOB P27338 3/20 0.39
BACE1 P56817 1/20 0.37
RIPK1 Q13546 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL3643273 0.91 TAAR1 (0.44) TAAR1IDO1AGXTMAOBBACE1
SCHEMBL3645295 0.86 TAAR1 (0.40) TAAR1IDO1AGXTMAOBBACE1
SCHEMBL9198674 0.85 TAAR1 (0.42) TAAR1IDO1AGXTMAOBBACE1
SCHEMBL722684 0.84 IDO1 (0.56) TAAR1IDO1AGXTMAOB
SCHEMBL6525763 0.84 IDO1 (0.49) TAAR1IDO1AGXTMAOB
SCHEMBL22436367 0.83 IDO1 (0.37) IDO1
SCHEMBL12093121 0.83 CA12 (0.38) TAAR1IDO1AGXTSIGMAR1
SCHEMBL1641298 0.83 CA12 (0.35)
SCHEMBL15413373 0.81 TAAR1 (0.46) TAAR1IDO1AGXTMAOBBACE1
SCHEMBL3698240 0.81 GABRA1 (0.49) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-15 US disclosed
EP-4225749-A1 COMPOUNDS AND METHODS OF TREATING CANCERS Cullgen (Shanghai), Inc. (CN) 2023-08-16 EP disclosed
CN-111909083-B Inhibitors of histone demethylase 赛尔基因昆蒂赛尔研究公司 2023-08-15 CN disclosed
CN-116583509-A Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2023-08-11 CN disclosed
US-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR VIVAVISION (SHANGHAI) LTD (CN) 2022-10-20 US disclosed
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 WO disclosed
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 WO disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 EP disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 EP disclosed
CN-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 CN disclosed
WO-2004096804-A1 DIAZABICYCLONONENE AND TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed
WO-2003076422-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 WO disclosed
US-20030018051-A1 Pyrazole derivatives - p38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2003-01-23 US disclosed
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-10-24 US disclosed
US-6444696-B1 1-ARYL OR HETEROARYL SUBSTITUTED 5-AMINO-4 CARBONYLPYRAZOLE DERIVATIVES; ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-09-03 US disclosed
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-08-01 US disclosed
EP-1218346-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-07-03 EP disclosed
US-6376527-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6316466-B1 Pyrazole derivatives P-38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed
WO-2001021591-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-29 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 (5 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-20030018051-A1 Pyrazole derivatives - p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K8 TAAR1 3163/4885IDO1 3437/4885AGXT 2836/4885
US-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS GSPT1, GGT1, VHL TAAR1 3615/4885IDO1 1102/4885AGXT 349/4885
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors MAPK1, MAPK8, MAPKAPK2 TAAR1 3223/4885IDO1 3154/4885AGXT 2912/4885
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K8 TAAR1 3163/4885IDO1 3437/4885AGXT 2836/4885
US-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR ROCK1, NOS1, ROCK2 TAAR1 1633/4885IDO1 696/4885AGXT 1662/4885

“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.