SCHEMBL21381645

SCHEMBL21381645

COc1ccc(C(=C2CCNCC2)c2ccncc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ PKM P14618 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP1A1 P04798 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ OPRM1 P35372 4/20 0.44
▸ OPRD1 P41143 4/20 0.44
▸ POLB P06746 1/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40

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
SCHEMBL21381903 0.85 OPRD1 (0.52) ALDH1A1CYP1A2CYP2D6OPRM1OPRD1
SCHEMBL21381745 0.85 ALDH1A1 (0.48) KMT2AALDH1A1MEN1LMNACYP1A2
SCHEMBL21381637 0.80 OPRD1 (0.56) KMT2AMEN1OPRM1OPRD1MAPT
SCHEMBL30567989 0.80 OPRD1 (0.56) KMT2AMEN1OPRM1OPRD1MAPT
SCHEMBL21381837 0.79 LMNA (0.55) KMT2AALDH1A1MEN1PKMLMNA
Trifluoroacetic Acid SCHEMBL21384697 0.77 OPRD1 (0.50) ALDH1A1PKMCYP1A2CYP2D6OPRM1
Trifluoroacetic Acid SCHEMBL29068355 0.77 CYP1A1 (0.46) KMT2AALDH1A1MEN1PKMLMNA
Trifluoroacetic Acid SCHEMBL30567974 0.77 CYP1A1 (0.46) KMT2AALDH1A1MEN1PKMLMNA
SCHEMBL11756445 0.75 CYP2C9 (0.52) KMT2AALDH1A1MEN1LMNACYP1A2
SCHEMBL22491493 0.74 OPRM1 (0.46) OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936503-B Oxazine monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2023-09-12 — — CN disclosed
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 — — US disclosed
EP-3768684-B1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN LA ROCHE (CH) 2023-02-22 — — EP disclosed
US-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 — — US disclosed
EP-3768684-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-01-27 — — EP disclosed
CN-111936503-A Oxazin monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2020-11-13 — — CN disclosed
WO-2019180185-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-09-26 — — 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-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC KMT2A 2681/4885ALDH1A1 1432/4885MEN1 1218/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC KMT2A 2681/4885ALDH1A1 1432/4885MEN1 1218/4885

“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.

Send feedback