SCHEMBL16801189

SCHEMBL16801189

c1ccc2c(c1)oc1cc3sc4cc5oc6ccccc6c5c5cccc(c6cccc(c12)c36)c45

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 7/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ GLA P06280 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PGAM1 P18669 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ MGAM O43451 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38
▸ AHR P35869 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 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
SCHEMBL17368262 0.88 GPR3 (0.37) MAOAALDH1A1KDM4EHPGDMAPT
SCHEMBL16801004 0.85 GPR3 (0.38) MAOAALDH1A1KDM4EHPGDMAPT
SCHEMBL19767566 0.81 MAOA (0.45) MAOAALDH1A1KDM4EHPGDMAPT
SCHEMBL18159557 0.78 ALDH1A1 (0.45) MAOAALDH1A1KDM4EHPGDMAPT
SCHEMBL13935962 0.75 GPR3 (0.45) MAOAALDH1A1KDM4EHPGDMAPT
SCHEMBL16985102 0.74 MAOA (0.54) MAOAALDH1A1KDM4EHPGDMAPT
SCHEMBL2195718 0.74 MAOA (0.54) MAOAALDH1A1KDM4EHPGDMAPT
SCHEMBL18350128 0.73 MAOA (0.45) MAOAALDH1A1KDM4EHPGDMAPT
SCHEMBL22172199 0.72 AHR (0.60) MAOAALDH1A1KDM4EHPGDMAPT
SCHEMBL21085596 0.72 HPGD (0.46) MAOAALDH1A1KDM4EHPGDMAPT

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
US-11917913-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2024-02-27 — — US disclosed
US-11917913-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2024-02-27 — — US disclosed
US-20190280218-A1 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2019-09-12 — — US disclosed
US-10374170-B2 Substituted oxepines MERCK PATENT GMBH (DE) 2019-08-06 — — US disclosed
US-20160308146-A1 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2016-10-20 — — US disclosed
US-20160308146-A1 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2016-10-20 — — US disclosed
WO-2015082046-A2 SUBSTITUTED OXEPINES MERCK PATENT GMBH (DE) 2015-06-11 — — 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 (4 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-11917913-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 MAOA 161/4885ALDH1A1 1740/4885KDM4E 710/4885
US-10374170-B2 Substituted oxepines OXGR1, OXTR, OCIAD2 MAOA 161/4885ALDH1A1 1740/4885KDM4E 710/4885
US-20190280218-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 MAOA 161/4885ALDH1A1 1740/4885KDM4E 710/4885
US-20160308146-A1 SUBSTITUTED OXEPINES OXGR1, OXTR, OCIAD2 MAOA 161/4885ALDH1A1 1740/4885KDM4E 710/4885

“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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