SCHEMBL4533966

SCHEMBL4533966

Fc1cc(CBr)ccc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
PDE2A O00408 1/20 0.43
HCRTR1 O43613 6/20 0.39
HCRTR2 O43614 6/20 0.39
P2RX7 Q99572 6/20 0.39
SLC7A5 Q01650 1/20 0.38
CACNA1H O95180 2/20 0.37

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
SCHEMBL508577 0.86 CYP17A1 (0.42) EPHX2PDE2AHCRTR1HCRTR2P2RX7
SCHEMBL8926703 0.86 EPHX2 (0.44) EPHX2PDE2AHCRTR1HCRTR2P2RX7
SCHEMBL4444828 0.85 KCNN4 (0.41) EPHX2
SCHEMBL2239066 0.85 RXRA (0.37) EPHX2HCRTR1HCRTR2P2RX7
SCHEMBL7769695 0.84 KDM4E (0.35) EPHX2
SCHEMBL25182236 0.81 EPHX2 (0.50) EPHX2PDE2AHCRTR1HCRTR2P2RX7
SCHEMBL2245517 0.81 MBOAT4 (0.43) EPHX2
SCHEMBL2447332 0.81 EPHX2 (0.50) EPHX2PDE2AHCRTR1HCRTR2P2RX7
SCHEMBL6468220 0.81 PDE2A (0.46) EPHX2PDE2AHCRTR1HCRTR2P2RX7
SCHEMBL19888008 0.81 EPHX2 (0.46) EPHX2PDE2AHCRTR1HCRTR2P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4474017-A2 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
EP-3837263-B1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN LA ROCHE (CH) 2024-07-03 EP disclosed
EP-3455224-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AG (DE) 2024-03-27 EP disclosed
US-20230052528-A1 TASPASE1 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-02-16 US disclosed
CN-115697331-A TASPASE1 inhibitors and uses thereof 加利福尼亚大学董事会 2023-02-03 CN disclosed
EP-4065112-A2 TASPASE1 INHIBITORS AND USES THEREOF The Regents of the University of California (US) 2022-10-05 EP disclosed
CN-109476658-B Substituted 5,6,7, 8-tetrahydro [1,2,4] triazolo [4,3-a ] pyridin-3 (2H) -ones and 2,5,6, 7-tetrahydro-3H-pyrrolo [2,1-c ] [1,2,4] triazol-3-ones and uses thereof 拜耳公司 2021-08-10 CN disclosed
WO-2021102359-A2 TASPASE1 INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-27 WO disclosed
US-10722501-B2 Substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-A]pyridine-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-C][1,2,4]triazol-3-ones, and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2020-07-28 US disclosed
CN-107074822-B Triazole compounds as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
US-20150072969-A1 PHENYL ALKANOIC ACID DERIVATIVES AS GPR AGONISTS Piramal Enterprises Limited (IN) 2015-03-12 US disclosed
EP-2820005-A1 PHENYL ALKANOIC ACID DERIVATIVES AS GPR AGONISTS Piramal Enterprises Limited (IN) 2015-01-07 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
WO-2013128378-A1 PHENYL ALKANOIC ACID DERIVATIVES AS GPR AGONISTS Piramal Enterprises Limited (IN) 2013-09-06 WO disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO disclosed
WO-2012049555-A1 SPIROCYCLIC COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2012-04-19 WO disclosed
US-20040152903-A1 6-chloro-3-pyridylmethylpropylamine derivatives, preparation process thereof and bactericides KUREHA CORPORATION (JP) 2004-08-05 US disclosed
EP-1375483-A1 6-CHLORO-3-PYRIDYLMETHYLPROPYLAMINE DERIVATIVES, PREPARATION PROCESS THEREOF AND BACTERICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-01-02 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 (5 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-20150072969-A1 PHENYL ALKANOIC ACID DERIVATIVES AS GPR AGONISTS GPR55, GPR65, GPR35 EPHX2 1152/4885PDE2A 2247/4885HCRTR1 567/4885
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R EPHX2 3244/4885PDE2A 2296/4885HCRTR1 2/4885
US-20040152903-A1 6-chloro-3-pyridylmethylpropylamine derivatives, preparation process thereof and bactericides PGLS, TLR6, UROD EPHX2 1579/4885PDE2A 1783/4885HCRTR1 4319/4885
US-10722501-B2 Substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-A]pyridine-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-C][1,2,4]triazol-3-ones, and use thereof PTGIS, CYP11B2, IL1B EPHX2 851/4885PDE2A 503/4885HCRTR1 3609/4885
US-20230052528-A1 TASPASE1 INHIBITORS AND USES THEREOF RNASE1, TASP1, TPP1 EPHX2 3278/4885PDE2A 3022/4885HCRTR1 4845/4885

“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.