SCHEMBL4054585

SCHEMBL4054585

N#Cc1cccc(-c2nc3ccc(-c4ccccc4C(F)(F)F)cc3o2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.50
AR P10275 1/20 0.46
ACP1 P24666 1/20 0.44
VSIR Q9H7M9 4/20 0.43
BACE1 P56817 1/20 0.43
CETP P11597 1/20 0.43
USP30 Q70CQ3 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
MGLL Q99685 1/20 0.42
ENPP1 P22413 1/20 0.41
SCN9A Q15858 1/20 0.40
PDK2 Q15119 1/20 0.40
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
TRPA1 O75762 1/20 0.39
HSPD1 P10809 2/20 0.39
PTPN2 P17706 2/20 0.39

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
SCHEMBL4050635 0.85 VSIR (0.58) GPR119VSIRUSP30MGLLPDCD1
SCHEMBL4058082 0.85 BACE1 (0.51) GPR119VSIRBACE1PIK3R1PIK3CA
SCHEMBL4057762 0.84 BACE1 (0.46) VSIRBACE1PIK3R1PIK3CAMGLL
SCHEMBL4051587 0.84 VSIR (0.51) GPR119VSIRBACE1PIK3R1PIK3CA
SCHEMBL4053408 0.83 NPC1 (0.51) GPR119VSIRBACE1PIK3R1PIK3CA
SCHEMBL4059846 0.80 P2RY14 (0.47) GPR119VSIRBACE1PIK3R1PIK3CA
SCHEMBL4051500 0.80 NPC1 (0.54) GPR119VSIRBACE1PIK3R1PIK3CA
SCHEMBL28265558 0.77 ALDH1A1 (0.51) GPR119MGLLHSPD1PTPN2PTPN1
SCHEMBL4059707 0.77 NPC1 (0.62) GPR119BACE1S1PR1
SCHEMBL28687718 0.77 GPR119 (0.48) GPR119VSIRUSP30MGLLPDK2

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 GPR119 1677/4885AR 730/4885ACP1 228/4885

“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.