SCHEMBL19641950

SCHEMBL19641950

Cn1nccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
P2RX7 Q99572 1/20 0.41
HSD11B1 P28845 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
WDR5 P61964 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
AKT1 P31749 2/20 0.39
CD274 Q9NZQ7 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 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
SCHEMBL19641917 0.87 CNR1 (0.44) CNR1HSD11B1
SCHEMBL19641928 0.85 CNR1 (0.42) CNR1HSD11B1WDR5
SCHEMBL19641901 0.85 HTT (0.42) CNR1HSD11B1RAB9AHTTMAPT
SCHEMBL19207323 0.84 CNR1 (0.48) CNR1P2RX7HSD11B1NPC1CYP1A2
SCHEMBL19641941 0.84 CNR1 (0.41) CNR1HSD11B1ALDH1A1KMT2A
SCHEMBL19641945 0.81 CNR1 (0.39) CNR1HSD11B1CYP2D6HTTALDH1A1
SCHEMBL20074817 0.81 GSK3B (0.52) CNR1HSD11B1
SCHEMBL18706164 0.77 CNR1 (0.43) CNR1HSD11B1MAPTPOLB
SCHEMBL20074608 0.77 CNR1 (0.43) CNR1HSD11B1NPC1RAB9A
SCHEMBL19642043 0.77 GRM5 (0.35) CNR1HTTWDR5ALDH1A1KMT2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071451-B Pyrazole compounds as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2022-07-15 CN claimed
EP-3464246-B1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-07-08 EP claimed
US-10457644-B2 Pyrazol compounds as EAAT3 inhibitors HOFFMAN-LA ROCHE INC. (US) 2019-10-29 US claimed
US-20190119218-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-04-25 US claimed
EP-3464246-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-04-10 EP claimed
WO-2017202896-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 WO claimed
CN-109071451-B Pyrazole compounds as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2022-07-15 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-10457644-B2 Pyrazol compounds as EAAT3 inhibitors HOFFMAN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-10457644-B2 Pyrazol compounds as EAAT3 inhibitors HOFFMAN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-20190119218-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-04-25 US disclosed
US-20190119218-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-04-25 US disclosed
EP-3464246-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-04-10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20190119218-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS SLC1A1, SLC1A3, SLC1A2 CNR1 2073/4885P2RX7 397/4885HSD11B1 3231/4885
US-10457644-B2 Pyrazol compounds as EAAT3 inhibitors SLC1A1, SLC1A3, SLC1A2 CNR1 2073/4885P2RX7 397/4885HSD11B1 3231/4885

“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.