SCHEMBL4053287

SCHEMBL4053287

COc1ccccc1-c1nc2ccc(-c3ccccc3C(F)(F)F)cc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.54
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PTGS2 P35354 1/20 0.51
ABL1 P00519 1/20 0.47
UTRN P46939 1/20 0.47
S1PR1 P21453 2/20 0.47
PGR P06401 1/20 0.46
AR P10275 1/20 0.46
NPC1 O15118 1/20 0.46
BACE1 P56817 1/20 0.45
C1R P00736 1/20 0.45
CCNE2 O96020 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44
TRPA1 O75762 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL4059707 0.89 NPC1 (0.62) GPR119TSHRHSD17B10PTGS2UTRN
SCHEMBL4052391 0.88 NPC1 (0.49) GPR119HSD17B10PTGS2UTRNNPC1
SCHEMBL4053451 0.86 NPC1 (0.52) GPR119UTRNNPC1BACE1PIK3R1
SCHEMBL4051519 0.84 HDAC6 (0.58) GPR119TSHRHTTHSD17B10PTGS2
SCHEMBL4051500 0.83 NPC1 (0.54) GPR119HSD17B10UTRNS1PR1NPC1
SCHEMBL4058082 0.83 BACE1 (0.51) GPR119S1PR1NPC1BACE1C1R
SCHEMBL31048586 0.80 GPR119 (0.54) GPR119TSHRHTTHSD17B10PTGS2
SCHEMBL4053408 0.79 NPC1 (0.51) GPR119HSD17B10S1PR1NPC1BACE1
SCHEMBL4058321 0.79 GPR119 (0.56) GPR119TSHRHSD17B10PTGS2ABL1
SCHEMBL4057762 0.78 BACE1 (0.46) UTRNS1PR1BACE1PIK3R1PIK3CA

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 1677/4885TSHR 1199/4885HTT 4772/4885

“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.