SCHEMBL18285347

SCHEMBL18285347

CC(C)(C)NC(=O)c1cc(I)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 4/20 0.49
TRPV1 Q8NER1 2/20 0.43
HDAC2 Q92769 1/20 0.42
JAK2 O60674 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
DHODH Q02127 1/20 0.40
AKR1C3 P42330 1/20 0.40
ANO1 Q5XXA6 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL18285281 0.86 JAK2 (0.40) P2RY14HDAC2JAK2ANO1
SCHEMBL19656299 0.85 P2RY14 (0.50) P2RY14TRPV1JAK2AKR1C3RXRA
SCHEMBL18285297 0.84 P2RY14 (0.49) P2RY14TRPV1HDAC2JAK2DHODH
SCHEMBL29727643 0.84 P2RY14 (0.49) P2RY14TRPV1HDAC2JAK2DHODH
SCHEMBL18285294 0.83 CNR1 (0.46) JAK2ANO1
SCHEMBL21003937 0.81 AKR1C3 (0.41) JAK2AKR1C3RXRARXRB
SCHEMBL18496626 0.81 POLB (0.41) JAK2ANO1
SCHEMBL18285327 0.80 P2RY14 (0.48) P2RY14
SCHEMBL7753604 0.79 TRPV1 (0.59) TRPV1
SCHEMBL18496579 0.79 POLB (0.47) P2RY14HDAC2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563049-B Imidazole compounds as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2022-11-29 CN disclosed
CN-109071451-B Pyrazole compounds as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2022-07-15 CN disclosed
CN-107531642-B Imidazole derivatives 豪夫迈·罗氏有限公司 2021-06-22 CN disclosed
EP-3526201-B1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-11-18 EP disclosed
EP-3526201-B1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-11-18 EP disclosed
CN-107922391-B Pyridine and pyrimidine derivatives 豪夫迈·罗氏有限公司 2020-09-25 CN disclosed
EP-3464246-B1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-07-08 EP disclosed
EP-3464246-B1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-07-08 EP disclosed
US-10556870-B2 Imidazole compounds as EAAT3 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-02-11 US disclosed
US-10556870-B2 Imidazole compounds as EAAT3 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-02-11 US disclosed
EP-3334727-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-06-20 EP disclosed
US-20180162824-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-06-14 US disclosed
US-20180118692-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 US disclosed
WO-2018069362-A1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-04-19 WO disclosed
WO-2018069362-A1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-04-19 WO disclosed
EP-3303299-A1 IMIDAZOLE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-04-11 EP disclosed
WO-2017202896-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 WO disclosed
WO-2017202896-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 WO disclosed
WO-2017025523-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-02-16 WO disclosed
WO-2016193235-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-12-08 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 (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-20180162824-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES MC3R, MC2R, NPY1R P2RY14 904/4885TRPV1 2575/4885HDAC2 1599/4885
US-20180118692-A1 IMIDAZOLE DERIVATIVES DRD3, GABRR3, DRD4 P2RY14 3572/4885TRPV1 1837/4885HDAC2 168/4885
US-10556870-B2 Imidazole compounds as EAAT3 inhibitors SLC1A1, SLC1A3, SLC1A2 P2RY14 2903/4885TRPV1 802/4885HDAC2 122/4885

“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.