SCHEMBL4054733

SCHEMBL4054733

Fc1ccc(-c2ccc3nc(-c4cccc(OC5CCCC5)c4)oc3c2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.43
VSIR Q9H7M9 2/20 0.42
ACSL1 P33121 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
UTRN P46939 2/20 0.39
F2RL3 Q96RI0 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL4061897 0.90 VSIR (0.52) GPR119VSIRACSL1NPC1RAB9A
SCHEMBL4055472 0.83 GPR119 (0.52) GPR119VSIRUTRNF2RL3
SCHEMBL4050525 0.81 GPR119 (0.51) GPR119VSIRNPC1RAB9ALMNA
SCHEMBL4060918 0.80 GPR119 (0.45) GPR119ACSL1NPC1RAB9ALMNA
SCHEMBL4053116 0.79 GPR119 (0.46) GPR119ACSL1NPC1RAB9ALMNA
SCHEMBL4051596 0.78 GPR119 (0.55) GPR119VSIRF2RL3KMT2AFFAR1
SCHEMBL4053094 0.78 FFAR1 (0.51) GPR119VSIRUTRNKMT2AFFAR1
SCHEMBL4054837 0.77 UTRN (0.46) GPR119VSIRRAB9ACASP3SMN1; SMN2
SCHEMBL4231839 0.77 GPR119 (0.46) GPR119VSIRRAB9ACASP3SMN1; SMN2
SCHEMBL4058058 0.75 CEPT1 (0.50) GPR119VSIRNPC1RAB9ALMNA

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 1677/4885VSIR 4618/4885ACSL1 2324/4885

“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.