SCHEMBL3085155

SCHEMBL3085155

CCc1[nH]nc(C(=O)O)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 1.00
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TAAR1 Q96RJ0 2/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL9026943 0.84 HCAR2 (0.72) HCAR2NPC1RAB9ATAAR1SLC6A3
SCHEMBL19382697 0.82 HCAR2 (0.70) HCAR2NPC1RAB9ATAAR1SLC6A3
SCHEMBL28251799 0.82 HCAR2 (0.70) HCAR2NPC1RAB9ATAAR1SLC6A3
SCHEMBL28628018 0.80 HCAR2 (0.67) HCAR2
SCHEMBL11203508 0.79 HCAR2 (0.66) HCAR2NPC1RAB9ATAAR1SLC6A3
SCHEMBL16619585 0.79 HCAR2 (0.66) HCAR2NPC1RAB9ATAAR1SLC6A3
SCHEMBL11411101 0.79 HCAR2 (0.65) HCAR2
SCHEMBL3131871 0.78 HCAR2 (1.00) HCAR2
SCHEMBL28835744 0.78 HCAR2 (0.65) HCAR2
SCHEMBL17224976 0.78 HCAR2 (0.70) HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12221420-B2 Process for the preparation of substituted pyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2025-02-11 US claimed
EP-3997085-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2022-05-18 EP claimed
US-20220127236-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2022-04-28 US claimed
CN-114144412-A Process for preparing substituted pyrazole derivatives 豪夫迈·罗氏有限公司 2022-03-04 CN claimed
WO-2021005137-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-01-14 WO claimed
CN-115916770-B H4 antagonist compounds 奈克斯拉制药英国有限公司 2025-02-28 CN disclosed
US-12221420-B2 Process for the preparation of substituted pyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2025-02-11 US disclosed
US-12221420-B2 Process for the preparation of substituted pyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2025-02-11 US disclosed
US-20230167094-A1 H4 ANTAGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2023-06-01 US disclosed
CN-115916770-A H4 antagonist compounds 赫普泰雅治疗有限公司 2023-04-04 CN disclosed
EP-4139300-A1 H4 ANTAGONIST COMPOUNDS Heptares Therapeutics Limited (GB) 2023-03-01 EP disclosed
CN-114874143-A Regulator containing pyrazole derivatives, preparation method and application thereof 上海翰森生物医药科技有限公司 2022-08-09 CN disclosed
US-20190010148-A1 MORPHOLINE DERIVATIVE HOFFMANN-LA ROCHE INC. (US) 2019-01-10 US disclosed
WO-2017157873-A1 5-ETHYL-4-METHYL-PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING ACTIVITY AS AGONIST OF TAAR F. HOFFMANN-LA ROCHE AG (CH) 2017-09-21 WO disclosed
CN-101765596-B Inhibitors of hypoxia inducible factor (HIF) useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER IP GMBH 2015-04-29 CN disclosed
US-8796253-B2 Heteroaryl substituted pyrazole derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
US-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 US disclosed
CN-101765596-A Inhibitors of hypoxia inducible factor (HIF) useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE AG 2010-06-30 CN disclosed
EP-0725783-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1996-08-14 EP disclosed
WO-1995011905-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-05-04 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-12221420-B2 Process for the preparation of substituted pyrazole derivatives CYP3A5, CYP3A4, CYP3A7 HCAR2 2112/4885NPC1 1527/4885RAB9A 650/4885
US-20100249085-A1 HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS FLT4, VEGFA, MKI67 HCAR2 560/4885NPC1 1028/4885RAB9A 1563/4885
US-20190010148-A1 MORPHOLINE DERIVATIVE TAAR1, TAAR5, TACR1 HCAR2 47/4885NPC1 1131/4885RAB9A 1491/4885
US-20230167094-A1 H4 ANTAGONIST COMPOUNDS HRH4, HRH3, HRH2 HCAR2 14/4885NPC1 1320/4885RAB9A 2672/4885
US-20220127236-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRAZOLE DERIVATIVES CYP3A5, CYP3A4, CYP3A7 HCAR2 2112/4885NPC1 1527/4885RAB9A 650/4885

“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.