SCHEMBL98013

SCHEMBL98013

O=CCCc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
HTR2A P28223 1/20 0.50
GPR52 Q9Y2T5 1/20 0.47
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
PDPK1 O15530 1/20 0.40
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
CYP2A6 P11509 1/20 0.38
IDO1 P14902 2/20 0.38
PLCG1 P19174 1/20 0.38
TGM2 P21980 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PYCR1 P32322 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
SCHEMBL9341535 0.94 TAAR1 (0.45) TAAR1HTR2AGPR52CA12CA1
SCHEMBL9671868 0.87 HIF1A (0.37) GPR52CA2FFAR1
SCHEMBL20271906 0.87 GPR52 (0.50) GPR52PDPK1POLBCTDSP1
SCHEMBL13801239 0.86 TAAR1 (0.46) TAAR1HTR2AGPR52CA12CA1
SCHEMBL28464172 0.85 TAAR1 (0.45) TAAR1HTR2AGPR52CA12CA1
SCHEMBL4198535 0.83 TAAR1 (0.43) TAAR1HTR2AGPR52PLCG1
SCHEMBL10012084 0.80 HRH3 (0.41) GPR52FFAR1
SCHEMBL27963834 0.80 CYP2A6 (0.42) GPR52PDPK1CYP2A6
SCHEMBL26988123 0.80 MAOB (0.41) TAAR1HTR2AGPR52
SCHEMBL9805398 0.79 RAB9A (0.51) TAAR1HTR2AGPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956932-B Synthesis method of polysubstituted chiral tetrahydroquinoline compound 东北大学秦皇岛分校 2023-11-10 CN claimed
CN-114956932-A Synthesis method of polysubstituted chiral tetrahydroquinoline compound 东北大学秦皇岛分校 2022-08-30 CN claimed
US-20250382269-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY INHIBITING PATHOGENIC MICROBES CFD RES CORPORATION (US) 2025-12-18 US disclosed
US-20250382268-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY INHIBITING PATHOGENIC MICROBES CFD RES CORPORATION (US) 2025-12-18 US disclosed
US-20250320201-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS INC (US) 2025-10-16 US disclosed
EP-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 EP disclosed
CN-119768164-A Pharmaceutical compounds for treating complement-mediated disorders 阿雷克森制药公司 2025-04-04 CN disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 WO disclosed
CN-112811994-B Difluoro ether compound with 3-pentenyl end group and synthesis method thereof 江苏和成新材料有限公司 2024-02-02 CN disclosed
CN-114956932-B Synthesis method of polysubstituted chiral tetrahydroquinoline compound 东北大学秦皇岛分校 2023-11-10 CN disclosed
CN-115536511-B 1, 4-dialdehyde ketone compound, synthesis method and application thereof 徐州医科大学 2023-08-22 CN disclosed
US-5968960-A ANTIISCHEMIC AGENTS AND HYPOTENSIVE AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-10-19 US disclosed
US-5804590-A ADMINISTERING DERIVATIVES OF THIAZOLIDINE; ANTI-DIABETIC AGENTS. SANKYO COMPANY, LIMITED (JP) 1998-09-08 US disclosed
US-5753681-A INSULIN SENSITIZERS SANKYO COMPANY, LIMITED (JP) 1998-05-19 US disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
EP-0796618-A1 Treatment and prophylaxis of pancreatitis SANKYO COMPANY LIMITED (JP) 1997-09-24 EP disclosed
EP-0783888-A1 Use of troglitazone and related thiazolidinediones in the manufacture of a medicament for the treatment and prophylaxis of osteoporosis SANKYO COMPANY LIMITED (JP) 1997-07-16 EP disclosed
EP-0391212-B1 Process for preparing bifunctional Z-stilbene compounds, new bifunctional Z-stilbene compounds and their use for preparing polymers BAYER AG (DE) 1994-05-25 EP disclosed
US-4486433-A SLOWING HEART RATE DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-04 US disclosed
US-4409220-A Fused-ring amino-pyrazines as bradycardiac agents DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-10-11 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-20250382269-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY INHIBITING PATHOGENIC MICROBES CD14, MIF, NOD2 TAAR1 2151/4885HTR2A 4846/4885GPR52 2846/4885
US-20250320201-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 TAAR1 3429/4885HTR2A 1684/4885GPR52 2683/4885
US-20250382268-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY INHIBITING PATHOGENIC MICROBES CD14, MIF, NOD2 TAAR1 2151/4885HTR2A 4846/4885GPR52 2846/4885

“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.