SCHEMBL22530445

SCHEMBL22530445

CC(C)(CF)n1cc(-c2ccc(C(=O)O)cc2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 7/20 0.45
▸ NR1H4 Q96RI1 1/20 0.42
▸ SRC P12931 2/20 0.42
▸ OPRD1 P41143 3/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALOX5 P09917 2/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ RXRA P19793 1/20 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
SCHEMBL22530587 0.87 P2RY14 (0.49) P2RY14NR1H4SRCOPRD1KCNH2
SCHEMBL22530265 0.86 NLRP3 (0.47) SRC
SCHEMBL22531104 0.76 SRC (0.51) P2RY14NR1H4SRCNPC1RAB9A
SCHEMBL22530280 0.75 SRC (0.53) P2RY14NR1H4SRCNPC1RAB9A
SCHEMBL22276758 0.75 CHEK1 (0.54) P2RY14NR1H4SRCNPC1RAB9A
SCHEMBL22530277 0.74 NLRP3 (0.47) SRC
SCHEMBL3768428 0.73 SRC (0.51) NR1H4SRCNPC1RAB9AMEN1
SCHEMBL22530120 0.72 NLRP3 (0.48) —
SCHEMBL14212096 0.72 STIM1 (0.51) NPC1RAB9ASMN1; SMN2RXRARXRB
SCHEMBL27144814 0.72 SRC (0.50) P2RY14NR1H4SRCNPC1RAB9A

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
EP-3953360-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN LA ROCHE (CH) 2024-02-28 — — EP disclosed
US-20220135591-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN-LA ROCHE INC. (US) 2022-05-05 — — US disclosed
EP-3953360-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) F. Hoffmann-La Roche AG (CH) 2022-02-16 — — EP disclosed
CN-113767105-A Heterocyclic compounds as inhibitors of monoacylglycerol lipases (MAGL) 豪夫迈·罗氏有限公司 2021-12-07 — — CN disclosed
WO-2020207941-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) F. HOFFMANN-LA ROCHE AG (CH) 2020-10-15 — — 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 (1 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-20220135591-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) MGLL, LIPC, PNLIP P2RY14 4488/4885NR1H4 1034/4885SRC 4043/4885

“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.

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