SCHEMBL19207323

SCHEMBL19207323

Cn1nccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CTRC Q99895 3/20 0.41
HSD11B1 P28845 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
HTT P42858 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
MAPT P10636 2/20 0.38
P2RX7 Q99572 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 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
SCHEMBL19207287 0.89 MAPT (0.41) NPC1RAB9AADORA3MAPTALDH1A1
SCHEMBL19207304 0.88 CNR1 (0.45) CNR1CTRCHSD11B1ADORA3
SCHEMBL19207334 0.86 CNR1 (0.43) CNR1CTRCHSD11B1ADORA3
SCHEMBL19207320 0.86 CNR1 (0.43) CNR1CTRCHSD11B1RAB9AHTT
SCHEMBL19641950 0.84 CNR1 (0.47) CNR1HSD11B1NPC1CYP1A2CYP2D6
SCHEMBL19207351 0.83 MAPT (0.37) NPC1RAB9AADORA3MAPTALDH1A1
SCHEMBL19207255 0.82 CNR1 (0.40) CNR1CTRCHSD11B1ADORA3
SCHEMBL18389332 0.80 CNR1 (0.49) CNR1CTRCHSD11B1NPC1RAB9A
SCHEMBL18389331 0.78 CNR1 (0.50) CNR1CTRCHSD11B1ADORA3
SCHEMBL19259345 0.78 CTRC (0.38) CNR1CTRCADORA3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473462-B Pyrazole-pyridine derivatives as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2021-06-22 CN claimed
EP-3411365-B1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-11-20 EP claimed
US-10457663-B2 Pyrazol-pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US claimed
EP-3411365-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-12-12 EP claimed
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-11-29 US claimed
WO-2017133990-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-08-10 WO claimed
CN-108473462-B Pyrazole-pyridine derivatives as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2021-06-22 CN disclosed
EP-3411365-B1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-11-20 EP disclosed
EP-3411365-B1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-11-20 EP disclosed
US-10457663-B2 Pyrazol-pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-10457663-B2 Pyrazol-pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
EP-3411365-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-12-12 EP disclosed
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-11-29 US disclosed
WO-2017133990-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-08-10 WO disclosed
WO-2017133990-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-08-10 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 (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-10457663-B2 Pyrazol-pyridine derivatives MC3R, MC2R, DRD3 CNR1 102/4885CTRC 2889/4885HSD11B1 267/4885
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES MC3R, MC2R, DRD3 CNR1 102/4885CTRC 2889/4885HSD11B1 267/4885

“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.