SCHEMBL1726895

SCHEMBL1726895

NC(=O)c1ccc(CCc2coc3cccc(O)c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.45
▸ MBOAT4 Q96T53 1/20 0.43
▸ HTR2C P28335 3/20 0.42
▸ HTR1A P08908 2/20 0.42
▸ HTR1D P28221 2/20 0.42
▸ HTR2B P41595 4/20 0.40
▸ PLA2G10 O15496 1/20 0.39
▸ PLA2G2A P14555 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ NQO2 P16083 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ DAO P14920 1/20 0.37
▸ MAOB P27338 2/20 0.36
▸ DHFR P00374 2/20 0.35

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
SCHEMBL1727425 0.88 MBOAT4 (0.49) MBOAT4HTR2BHTR3ADAOMAOB
SCHEMBL1727291 0.87 F10 (0.41) MBOAT4HTR2CHTR2BHTR3A
SCHEMBL1727408 0.83 GFER (0.41) ARMBOAT4HTR2CHTR2BHTR3A
SCHEMBL1726815 0.83 FFAR1 (0.49) HTR2BHTR3ADAOMAOB
SCHEMBL1727808 0.82 HTR2B (0.51) HTR2BHTR3ADAOMAOB
SCHEMBL1726725 0.81 HTR2B (0.41) HTR2CHTR2BHTR3ADAOMAOB
SCHEMBL1727107 0.81 HTR2B (0.49) ARMBOAT4HTR2CHTR2BHTR3A
SCHEMBL1726926 0.80 LMNA (0.51) HTR2BHTR3ADAOMAOB
SCHEMBL1727511 0.79 HTR2B (0.36) MBOAT4HTR2BHTR3ADAOMAOB
SCHEMBL1727510 0.79 HTR2B (0.36) MBOAT4HTR2BHTR3ADAOMAOB

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-1609798-B1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2012-05-09 — — EP disclosed
EP-1609798-A9 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-01-11 — — EP disclosed
US-7566699-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 — — US disclosed
US-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 — — US disclosed
EP-1609798-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-12-28 — — 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-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof SLC5A1, SLC5A2, GPR119 AR 1029/4885MBOAT4 178/4885HTR2C 764/4885

“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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