SCHEMBL1727808

SCHEMBL1727808

Oc1cccc2occ(CCc3ccccc3)c12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 5/20 0.51
▸ HTR3A P46098 1/20 0.51
▸ DAO P14920 2/20 0.46
▸ MAOB P27338 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.38
▸ MPO P05164 1/20 0.38
▸ BID P55957 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ BAK1 Q16611 1/20 0.38
▸ HSD17B3 P37058 1/20 0.38
▸ LMNA P02545 1/20 0.36

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
SCHEMBL1727408 0.86 GFER (0.41) HTR2BHTR3ADAOMAOB
SCHEMBL1726725 0.86 HTR2B (0.41) HTR2BHTR3ADAOMAOB
SCHEMBL1727107 0.86 HTR2B (0.49) HTR2BHTR3ADAOMAOB
SCHEMBL1727425 0.86 MBOAT4 (0.49) HTR2BHTR3ADAOMAOB
SCHEMBL1726815 0.86 FFAR1 (0.49) HTR2BHTR3ADAOMAOB
SCHEMBL1726678 0.84 HTR2B (0.52) HTR2BHTR3ADAOMAOB
SCHEMBL1726720 0.83 TDP1 (0.45) HTR2BHTR3ADAO
SCHEMBL1726926 0.83 LMNA (0.51) HTR2BHTR3ADAOMAOBLMNA
SCHEMBL1727356 0.83 AR (0.43) HTR2BHTR3A
SCHEMBL1726895 0.82 AR (0.45) HTR2BHTR3ADAOMAOB

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 HTR2B 1490/4885HTR3A 643/4885DAO 1294/4885

“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