SCHEMBL507417

SCHEMBL507417

OC(c1ccccn1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NR1I2 O75469 1/20 0.40
KCNA5 P22460 5/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
KCNE1 P15382 1/20 0.40
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7804996 0.80 KDM4E (0.46) SLC6A2SLC6A4SLC6A3KDM4ETSHR
SCHEMBL3351311 0.79 SLC6A3 (0.45) SLC6A2SLC6A4SLC6A3KDM4EKCNA5
SCHEMBL29947474 0.79 SLC6A3 (0.45) SLC6A2SLC6A4SLC6A3KDM4EKCNA5
SCHEMBL12915400 0.78 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KDM4ENR1I2
SCHEMBL21742077 0.77 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KDM4ENR1I2
SCHEMBL8444986 0.76 PTGER1 (0.44) SLC6A2SLC6A4SLC6A3KDM4ETSHR
SCHEMBL10873700 0.76
SCHEMBL22275768 0.75 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KDM4ENR1I2
SCHEMBL21742082 0.75 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KDM4ENR1I2
SCHEMBL12346333 0.75 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KDM4ENR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223521-A2 Insecticidal and acaricidal phenoxypyridinyl esters and intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-27 EP claimed
EP-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
EP-2374802-B1 KYNURENINE PRODUCTION INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2014-04-23 EP disclosed
US-8673908-B2 Kynurenine production inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-03-18 US disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
EP-0223521-A3 INSECTICIDAL AND ACARICIDAL PHENOXYPYRIDINYL ESTERS AND INTERMEDIATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-06-08 EP disclosed
US-4701569-A PERFLUOROALKYLATION OF CARBONYL COMPOUNDS IN PRESENCE OF ZINC IN ABSENCE OF ULTRASONIC WAVES RHONE-POULENC SPECIALTIES CHIMIQUES (FR) 1987-10-20 US disclosed
EP-0223521-A2 Insecticidal and acaricidal phenoxypyridinyl esters and intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-27 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 (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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 SLC6A2 259/4885SLC6A4 99/4885SLC6A3 242/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A SLC6A2 223/4885SLC6A4 42/4885SLC6A3 129/4885
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYNU, KMO, IDO1 SLC6A2 1797/4885SLC6A4 1208/4885SLC6A3 1631/4885

“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.