SCHEMBL81535

SCHEMBL81535

OCCCc1cccc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
SIGMAR1 Q99720 1/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
MAOB P27338 1/20 0.44

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
SCHEMBL1047547 0.94 TAAR1 (0.57) TAAR1SIGMAR1IDO1AGXTCYP4F2
SCHEMBL1045131 0.92 TAAR1 (0.55) TAAR1SIGMAR1IDO1AGXTCYP4F2
SCHEMBL3456345 0.92 TAAR1 (0.55) TAAR1SIGMAR1IDO1AGXTCYP4F2
SCHEMBL643177 0.87 TAAR1 (0.63) TAAR1IDO1AGXTCYP4F2CYP4A11
SCHEMBL5240585 0.87 TAAR1 (0.68) TAAR1SIGMAR1IDO1AGXTMAOB
SCHEMBL19524669 0.85 TAAR1 (0.65) TAAR1SIGMAR1IDO1AGXTMAOB
SCHEMBL241880 0.84 CYP4F2 (0.53) TAAR1CYP4F2CYP4A11
SCHEMBL4399626 0.82 TAAR1 (0.74) TAAR1SIGMAR1IDO1AGXTMAOB
Alcohol SCHEMBL7528524 0.82 TAAR1 (0.57) TAAR1IDO1AGXTCYP4F2CYP4A11
SCHEMBL82275 0.81 TAAR1 (0.61) TAAR1SIGMAR1IDO1AGXTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000037425-A1 METHOD FOR PRODUCING FLUOXETIN SIEGFRIED CMS AG (CH) 2000-06-29 WO claimed
US-20250248975-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2025-08-07 US disclosed
US-20240246992-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS SERVIER LAB (FR) 2024-07-25 US disclosed
WO-2024054851-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 WO disclosed
US-11919839-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors VALO HEALTH, INC. (US) 2024-03-05 US disclosed
EP-4308570-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2024-01-24 EP disclosed
CN-117425661-A Macrocyclic LRRK2 kinase inhibitors 法国施维雅药厂 2024-01-19 CN disclosed
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed
EP-4276092-A1 COMPOUND LIBRARY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-15 EP disclosed
CN-116783160-A Libraries of compounds 中外制药株式会社 2023-09-19 CN disclosed
CN-1117291-A 4-Hydroxy-pyran-2-one derivatives for the treatment of retroviral infections UPJOHN CO (US) 1996-02-21 CN disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 EP disclosed
EP-0536713-A1 Oxazole and imidazole derivatives as prostaglandin analogs E.R. SQUIBB & SONS, INC. (US) 1993-04-14 EP disclosed
EP-0077651-A2 Method of producing alpha, gamma-halohydrins and uses of the same CETUS CORPORATION (US) 1983-04-27 EP disclosed
US-4195178-A Methylenecyclopentane derivatives THE UPJOHN COMPANY (US) 1980-03-25 US disclosed
US-4181798-A Methylenecyclopentane derivatives THE UPJOHN COMPANY (US) 1980-01-01 US disclosed
US-4175202-A 4,5,6-Trinor-3,7,-inter-m-phenylene prostaglandin A1 analogs THE UPJOHN COMPANY (US) 1979-11-20 US disclosed
US-4100192-A Inter-phenylene-PG amides THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4084058-A HYPOTENSIVES, ANTICOAGULANTS THE UPJOHN COMPANY (US) 1978-04-11 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-20240246992-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LRRK2, PARK7, PINK1 TAAR1 4210/4885SIGMAR1 3632/4885IDO1 4094/4885
US-11919839-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors HDAC8, HDAC7, HDAC1 TAAR1 4378/4885SIGMAR1 4114/4885IDO1 3723/4885
US-20250248975-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCB1, PKD1 TAAR1 4778/4885SIGMAR1 1136/4885IDO1 4799/4885

“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.