SCHEMBL4054615

SCHEMBL4054615

Fc1ccccc1-c1ccc2nc(-c3cccc(OCc4ccccc4)c3)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 6/20 0.61
GPR119 Q8TDV5 9/20 0.57
FFAR1 O14842 2/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
MAOB P27338 1/20 0.45
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
F2RL3 Q96RI0 1/20 0.44

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
SCHEMBL4051596 0.91 GPR119 (0.55) VSIRGPR119FFAR1PPARDPPARA
SCHEMBL4060803 0.87 SMN1; SMN2 (0.57) VSIRGPR119PDCD1CD274
SCHEMBL4057255 0.86 VSIR (0.58) VSIRGPR119PDCD1CD274
SCHEMBL4051457 0.86 VSIR (0.56) VSIRGPR119FFAR1PPARDPPARA
SCHEMBL13620568 0.85 VSIR (0.56) VSIRGPR119
SCHEMBL4053509 0.84 VSIR (0.55) VSIRGPR119
SCHEMBL4055876 0.84 VSIR (0.54) VSIRGPR119F2RL3
SCHEMBL4060165 0.84 VSIR (0.58) VSIRGPR119
SCHEMBL4054393 0.83 VSIR (0.53) VSIRGPR119
SCHEMBL4059361 0.83 VSIR (0.53) VSIRGPR119

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
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B VSIR 4618/4885GPR119 1677/4885FFAR1 3632/4885

“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.