SCHEMBL1497486

SCHEMBL1497486

CC(C)(C)OC(=O)N1CCn2c(Br)nnc2C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.49
NR1H2 P55055 2/20 0.46
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 1/20 0.39
CYP8B1 Q9UNU6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GPR119 Q8TDV5 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
SCHEMBL9951616 0.87 USP2 (0.42) P2RX7NR1H2HTTATMUSP2
SCHEMBL10095021 0.84 NR1H2 (0.47) P2RX7NR1H2HTTATMUSP2
SCHEMBL15580338 0.83 NR1H2 (0.46) NR1H2HTTATMUSP2SMN1; SMN2
SCHEMBL22952373 0.83 P2RX7 (0.48) P2RX7NR1H2HTTATMUSP2
SCHEMBL20775252 0.82 NR1H2 (0.45) NR1H2HTTATMUSP2SMN1; SMN2
SCHEMBL573286 0.82 NR1H2 (0.45) P2RX7NR1H2HTTATMUSP2
SCHEMBL5275353 0.82 NR1H2 (0.51) P2RX7NR1H2HTTATMUSP2
SCHEMBL19005617 0.82 NR1H2 (0.45) NR1H2HTTATMUSP2SMN1; SMN2
SCHEMBL20818755 0.81 P2RX7 (0.48) P2RX7NR1H2HTTATMUSP2
SCHEMBL22952671 0.81 NR1H2 (0.44) NR1H2HTTATMUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4703361-A1 PYRIDAZINONE TRPC4/5 INHIBITOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2026-03-04 EP disclosed
US-12435078-B2 Pyridazinones and methods of use thereof GFB (ABC), LLC (US) 2025-10-07 US disclosed
US-20250215016-A1 ISOXAZOLE-HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE Shanghai SIMR Biotechnology Co., Ltd (CN) 2025-07-03 US disclosed
WO-2025044946-A1 COMPOUND ACTING AS MRGPRX2 ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2025-03-06 WO disclosed
CN-119504738-A Compounds as MRGPRX2 antagonists, methods of preparation and use thereof 武汉人福创新药物研发中心有限公司 2025-02-25 CN disclosed
EP-4506348-A1 ISOXAZOLE-HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simrd Biotechnology Co., Ltd (CN) 2025-02-12 EP disclosed
US-20240425491-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS DRAIG THERAPEUTICS LTD (GB) 2024-12-26 US disclosed
WO-2024222379-A1 PYRIDAZINONE TRPC4/5 INHIBITOR AND USE THEREOF 中国科学院上海药物研究所 2024-10-31 WO disclosed
CN-118834210-A Pyridazinone TRPC4/5 inhibitor and application thereof 中国科学院上海药物研究所 2024-10-25 CN disclosed
CN-114630822-B Biaryl dihydroorotate acid dehydrogenase inhibitors 詹森生物科技公司 2024-10-01 CN disclosed
US-7834015-B2 treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, neurodegenerative diseases, retroviral infections, retinal damage, skin senescence and UV skin damage, and as chemosensitizers or radiosensitizers for cancer treatment INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-11-16 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 US disclosed
WO-2009158394-A1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 WO disclosed
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-08-20 US disclosed
EP-1583534-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-08-29 EP disclosed
US-20060052382-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. 2006-03-09 US disclosed
EP-1583534-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-10-12 EP disclosed
WO-2004058266-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-07-15 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 (7 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-20060052382-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 P2RX7 1401/4885NR1H2 3748/4885HTT 3264/4885
US-20250215016-A1 ISOXAZOLE-HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE GABRA5, GABRA1, CYP3A5 P2RX7 81/4885NR1H2 608/4885HTT 2383/4885
US-12435078-B2 Pyridazinones and methods of use thereof PDXK, ATP6V1B1, REN P2RX7 270/4885NR1H2 1189/4885HTT 1765/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK P2RX7 3549/4885NR1H2 1112/4885HTT 3863/4885
US-20240425491-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS GABRA5, GABRB3, GABRA3 P2RX7 428/4885NR1H2 191/4885HTT 2469/4885
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 P2RX7 1562/4885NR1H2 1500/4885HTT 609/4885
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) PARP1, PARP2, PARP11 P2RX7 1487/4885NR1H2 4093/4885HTT 746/4885

“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.