SCHEMBL3594200

SCHEMBL3594200

O=C1CCC2CCOc3cccc1c32

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.41
MAOB P27338 7/20 0.38
MAOA P21397 1/20 0.38
GRM5 P41594 7/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL29959964 1.00 MAP3K14 (0.41) MAP3K14MAOBMAOAGRM5NPC1
SCHEMBL29960673 0.75 PARP1 (0.41) MAP3K14
SCHEMBL3588169 0.74 CYP2A6 (0.42) MAOBMAOAALDH1A1HPGD
SCHEMBL29960815 0.71 MAP3K14 (0.39) MAP3K14NPC1RAB9APKMTSHR
SCHEMBL7013965 0.70 HTR3B (0.48) MAOBMAOA
SCHEMBL830902 0.70 HTR3B (0.48) MAOBMAOA
Chromanone SCHEMBL29384996 0.67 MAOB (0.56) MAOBMAOAGRM5NPC1RAB9A
Chromanone SCHEMBL28205525 0.67 MAOB (0.56) MAOBMAOAGRM5NPC1RAB9A
Chromanone SCHEMBL28794 0.67 MAOB (0.56) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL28646514 0.67 KDM4E (0.41) TSHRALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020147848-A1 TRICYCLIC SUBSTITUTED OXASPIRO DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2020-07-23 WO disclosed
US-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
EP-2128154-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2009-12-02 EP 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-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 MAP3K14 3441/4885MAOB 1514/4885MAOA 1733/4885

“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.