SCHEMBL20897465

SCHEMBL20897465

COC(=O)c1ccc(N2CCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.71
▸ HDAC6 Q9UBN7 1/20 0.56
▸ RAB9A P51151 7/20 0.54
▸ MAPT P10636 7/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ MCL1 Q07820 2/20 0.54
▸ NR4A1 P22736 1/20 0.54
▸ HPGD P15428 2/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ MGLL Q99685 1/20 0.53
▸ NPC1 O15118 7/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TSHR P16473 3/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52

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
SCHEMBL2951325 0.96 ALDH1A1 (0.71) ALDH1A1HDAC6RAB9AMAPTKMT2A
SCHEMBL5742108 0.95 ALDH1A1 (0.69) ALDH1A1HDAC6RAB9AMAPTKMT2A
SCHEMBL20898181 0.93 ALDH1A1 (0.63) ALDH1A1HDAC6RAB9AMAPTKMT2A
SCHEMBL64153 0.91 ALDH1A1 (0.64) ALDH1A1RAB9AHPGDNPC1SMN1; SMN2
SCHEMBL64400 0.88 ALDH1A1 (0.57) ALDH1A1HDAC6RAB9AMAPTKMT2A
SCHEMBL7341735 0.87 ALDH1A1 (0.60) ALDH1A1HDAC6RAB9AMAPTKMT2A
SCHEMBL65696 0.86 ALDH1A1 (0.71) ALDH1A1RAB9AMAPTKMT2AHPGD
SCHEMBL1063179 0.86 ALDH1A1 (0.67) ALDH1A1HDAC6RAB9AMAPTKMT2A
SCHEMBL10861127 0.85 ALDH1A1 (0.65) ALDH1A1RAB9AMAPTKMT2AHPGD
SCHEMBL21753316 0.84 ALDH1A1 (0.65) ALDH1A1RAB9AMAPTKMT2AHPGD

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-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 — — US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 — — EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 — — US disclosed
EP-3694840-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS Hoffmann-La Roche AG (CH) 2020-08-19 — — EP disclosed
WO-2019072785-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-04-18 — — 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-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG ALDH1A1 3240/4885HDAC6 539/4885RAB9A 361/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG ALDH1A1 3240/4885HDAC6 539/4885RAB9A 361/4885

“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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