SCHEMBL491292

SCHEMBL491292

FC(F)(F)c1cc[c]c(Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRB1 P08588 1/20 0.32
TRPV4 Q9HBA0 1/20 0.30
P2RX7 Q99572 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL10952065 0.76 TRPV4 (0.31) KDM4ETRPV4P2RX7
SCHEMBL2120639 0.76 TRPV4 (0.31) TRPV4P2RX7
SCHEMBL378932 0.74 HSP90AA1 (0.35) KDM4ETRPV4P2RX7
SCHEMBL1044558 0.70
SCHEMBL491468 0.69 NOTUM (0.31)
SCHEMBL9100785 0.69 HSD17B10 (0.36) NT5EKDM4EALDH1A1HSD17B10GAA
SCHEMBL27613767 0.69 CYP3A4 (0.36) ADRB1
SCHEMBL3169732 0.67 P2RX7 (0.39) KDM4EP2RX7
SCHEMBL31038939 0.67 GABRA1 (0.50) ADRB1GAAMAPT
SCHEMBL17959 0.67 GABRA1 (0.50) ADRB1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120440-A TYK2 inhibitor and application thereof 苏多生物科学有限公司 2023-11-24 CN disclosed
US-10207985-B2 Compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-02-19 US disclosed
US-10189839-B2 Tricyclic imidazole compounds as inhibitors of tryptophan hydroxylase ACTELION PHARMACEUTICALS LTD (CH) 2019-01-29 US disclosed
EP-3033330-B1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-09-19 EP disclosed
US-9884860-B2 Fused pyrroledicarboxamides and their use as pharmaceuticals SANOFI (FR) 2018-02-06 US disclosed
EP-3071578-B1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2018-01-10 EP disclosed
US-9765092-B2 Tricyclic piperidine compounds ACTELION PHARMACEUTICALS LTD (CH) 2017-09-19 US disclosed
EP-3071567-B1 TRICYCLIC IMIDAZOLE COMPOUNDS AS INHIBITORS OF TRYPTOPHAN HYDROXYLASE ACTELION PHARMACEUTICALS LTD (CH) 2017-09-06 EP disclosed
EP-2462124-B9 MESOIONIC PESTICIDES DU PONT (US) 2017-08-23 EP disclosed
US-9596856-B2 Mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-21 US disclosed
WO-2005066178-A1 TRIAZA-CYCLOPENTA[CD]INDENE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-07-21 WO disclosed
WO-2005066142-A2 PYRROLOPYRIMIDINE AND PYRROLOTRIAZINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-07-21 WO disclosed
US-6852732-B2 Tetrahydropyridino or piperidino heterocylic derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-02-08 US disclosed
US-20050009874-A1 Tetrahydropyridin or piperidino heterocyclic derivatives TAISHO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
EP-1467997-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-20 EP disclosed
WO-2004058767-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 WO disclosed
US-20040034061-A1 Tetrahydropyridino or piperidino heterocylic derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-02-19 US disclosed
EP-1299378-A4 TETRAHYDROPYRIDINO OR PIPERIDINO HETEROCYCLIC DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2004-01-28 EP disclosed
EP-1299378-A1 TETRAHYDROPYRIDINO OR PIPERIDINO HETEROCYCLIC DERIVATIVES Taisho Pharmaceutical Co. Ltd. (JP) 2003-04-09 EP disclosed
WO-2002002549-A1 TETRAHYDROPYRIDINO OR PIPERIDINO HETEROCYCLIC DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2002-01-10 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 (4 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-10189839-B2 Tricyclic imidazole compounds as inhibitors of tryptophan hydroxylase TPH1, TPH2, MAOB NT5E 1406/4885KDM4E 655/4885ALDH1A1 295/4885
US-10207985-B2 Compounds CYP1B1, DDT, CYP1A1 NT5E 2722/4885KDM4E 1903/4885ALDH1A1 221/4885
US-20050009874-A1 Tetrahydropyridin or piperidino heterocyclic derivatives CRHR1, CRHR2, VIPR1 NT5E 1678/4885KDM4E 4128/4885ALDH1A1 1495/4885
US-20040034061-A1 Tetrahydropyridino or piperidino heterocylic derivatives CRHR1, CRHR2, AGTR1 NT5E 1441/4885KDM4E 3867/4885ALDH1A1 1009/4885

“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.