SCHEMBL1727356

SCHEMBL1727356

N#Cc1ccc(CCc2coc3cccc(O)c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.43
▸ HTR2B P41595 5/20 0.40
▸ PSMB5 P28074 1/20 0.39
▸ PGAM1 P18669 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ HTR3A P46098 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KCNJ1 P48048 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ CYP2A6 P11509 1/20 0.33
▸ HTR2C P28335 1/20 0.33

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
SCHEMBL1727808 0.83 HTR2B (0.51) HTR2BHTR3A
SCHEMBL1727408 0.82 GFER (0.41) ARHTR2BHTR3ACYP19A1HTR2C
SCHEMBL1726725 0.82 HTR2B (0.41) HTR2BPGAM1HTR3AHTR2C
SCHEMBL1727107 0.82 HTR2B (0.49) ARHTR2BHTR3AKCNH2HTR2C
SCHEMBL1726815 0.78 FFAR1 (0.49) HTR2BHTR3AFFAR1
SCHEMBL1727425 0.78 MBOAT4 (0.49) HTR2BHTR3A
SCHEMBL1726989 0.78 PSMB5 (0.42) HTR2BPSMB5HTR3AHTR2C
SCHEMBL1727291 0.77 F10 (0.41) HTR2BLOXL2HTR3AHTR2C
SCHEMBL1726895 0.77 AR (0.45) ARHTR2BHTR3AHTR2C
SCHEMBL1727211 0.77 PSMB5 (0.43) HTR2BPSMB5HTR3AFFAR1HTR2C

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
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
CN-100418977-C Fused heterocyclic derivative, pharmaceutical composition containing the same, and pharmaceutical use thereof KISSEI PHARMACEUTICAL (JP) 2008-09-17 — — CN 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
CN-1784415-A Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL (JP) 2006-06-07 — — CN 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 1029/4885HTR2B 1490/4885PSMB5 2957/4885

“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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