SCHEMBL1047252

SCHEMBL1047252

[O]CCc1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.63
SLC6A3 Q01959 2/20 0.52
DAO P14920 3/20 0.50
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
DRD2 P14416 1/20 0.49
SLC6A4 P31645 1/20 0.49
MIF P14174 1/20 0.46
GPR84 Q9NQS5 1/20 0.45

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
SCHEMBL1047725 0.87 TAAR1 (0.59) TAAR1SLC6A3DAOIDO1AGXT
SCHEMBL3371633 0.85 TAAR1 (0.74) TAAR1SLC6A3DAOIDO1AGXT
SCHEMBL1043920 0.85 TAAR1 (0.57) TAAR1SLC6A3DAOIDO1AGXT
SCHEMBL1047218 0.84 TAAR1 (0.55) TAAR1SLC6A3DAOIDO1AGXT
SCHEMBL28797685 0.84 TAAR1 (0.55) TAAR1SLC6A3DAOIDO1AGXT
SCHEMBL6487330 0.82 TAAR1 (0.63) TAAR1SLC6A3DAOIDO1AGXT
SCHEMBL94694 0.81
SCHEMBL144864 0.79 TAAR1 (0.72) TAAR1SLC6A3DAOIDO1AGXT
SCHEMBL8591746 0.79 TAAR1 (0.65) TAAR1SLC6A3DAOIDO1AGXT
SCHEMBL17117518 0.78 TAAR1 (0.59) TAAR1SLC6A3DAOIDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015172747-A1 SPIROCYCLIC MOLECULES AS MTH1 INHIBITORS WANG ZHAOYIN (CN) 2015-11-19 WO claimed
CN-104245673-A Salts of 5-[(1r)-2-({2-[4-(2,2-difluoro-2-phenylethoxy)phenyl]ethyl}amino)-1-hydroxyethyl]-8-hydroxyquinolin-2(1h)-one ALMIRALL SA 2014-12-24 CN claimed
CN-103889958-A Process for the preparation of 5- (2- { [6- (2, 2-difluoro-2-phenylethoxy) hexyl ] amino } -1(R) -hydroxyethyl) -8-hydroxyquinolin-2 (1H) -one via novel intermediates ALMIRALL SA 2014-06-25 CN claimed
CN-102348691-B process for the manufacture of 5- (2- { [6- (2, 2-difluoro-2-phenylethoxy) hexyl ] amino } -1-hydroxyethyl) -8-hydroxyquinolin-2 (1H) -one ALMIRALL SA 2014-04-09 CN claimed
CN-101522631-B Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the ss2 adrenergic receptor ALMIRALL LAB 2013-06-12 CN claimed
CN-114787150-A Alkynyl quinazoline compounds 黑钻治疗公司 2022-07-22 CN disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
CN-106255689-B Heteroaryl SYK Inhibitors 勃林格殷格翰国际有限公司 2019-09-17 CN disclosed
CN-110183440-A Heteroaryl SYK inhibitor 勃林格殷格翰国际有限公司 2019-08-30 CN disclosed
CN-105884743-B Metal enzyme inhibitor compound 威尔金制药(NC)有限公司 2019-08-06 CN disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
EP-1100816-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2001-05-23 EP disclosed
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed
WO-2000005251-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2000-02-03 WO disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed
EP-0496342-B1 New hydrazine derivative and pesticidal composition comprising said derivative as an effective ingredient NIPPON KAYAKU KK (JP) 1996-11-27 EP disclosed
US-5530021-A AGRICULTURAL INSECTICIDES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1996-06-25 US disclosed
US-5378726-A Insecticide, parasiticide NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1995-01-03 US disclosed
EP-0496342-A1 New hydrazine derivative and pesticidal composition comprising said derivative as an effective ingredient Nippon Kayaku Kabushiki Kaisha (JP) 1992-07-29 EP 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 (1 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 TAAR1 1102/4885SLC6A3 3704/4885DAO 24/4885

“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.