SCHEMBL22462822

SCHEMBL22462822

CC(C)(C)OC(=O)n1cc(-c2cc(C(F)(F)F)ccc2CC2CCN(C(=O)O)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.41
P2RY14 Q15391 1/20 0.40
LIPE Q05469 2/20 0.39
TGFBR1 P36897 1/20 0.39
GPR119 Q8TDV5 8/20 0.38
RORC P51449 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
EPHX2 P34913 1/20 0.36
ENPP2 Q13822 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL30272629 0.95 TGFBR1 (0.43) ROCK2P2RY14LIPETGFBR1GPR119
SCHEMBL22462845 0.95 TGFBR1 (0.43) ROCK2P2RY14LIPETGFBR1GPR119
SCHEMBL22462843 0.79 ROCK2 (0.39) ROCK2P2RY14GPR119RORCENPP2
SCHEMBL31071538 0.75 TGFBR1 (0.51) P2RY14TGFBR1GPR119RORCKDM4E
SCHEMBL23149167 0.74 EPHX2 (0.57) P2RY14TGFBR1GPR119RORCKDM4E
SCHEMBL29849792 0.74 EPHX2 (0.57) P2RY14TGFBR1GPR119RORCKDM4E
SCHEMBL28540034 0.74 DPP4 (0.51) P2RY14TGFBR1GPR119RORCKDM4E
SCHEMBL31071575 0.74 GPR119 (0.53) P2RY14TGFBR1GPR119RORCKDM4E
SCHEMBL22462913 0.73 ENPP2 (0.43) ROCK2P2RY14GPR119ENPP2SYK
SCHEMBL22462927 0.73 TGFBR1 (0.51) P2RY14TGFBR1GPR119KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-05-09 US disclosed
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors HOFFMANN-LA ROCHE INC. (US) 2023-10-31 US disclosed
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-02-16 US disclosed
US-20210277020-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-09-09 US disclosed
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-10-01 US 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-20210277020-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL ROCK2 3374/4885P2RY14 3509/4885LIPE 6/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL ROCK2 3785/4885P2RY14 2780/4885LIPE 6/4885
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, MGLL, LPL ROCK2 3600/4885P2RY14 2597/4885LIPE 6/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL ROCK2 3785/4885P2RY14 2780/4885LIPE 6/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL ROCK2 3785/4885P2RY14 2780/4885LIPE 6/4885

“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.