SCHEMBL4229080

SCHEMBL4229080

CC(C)CCOc1cccc(-c2nc3ccc(-c4ccccc4F)cc3o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 2/20 0.53
GPR119 Q8TDV5 12/20 0.47
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CASP3 P42574 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SENP8 Q96LD8 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
F2RL3 Q96RI0 1/20 0.42
TLR9 Q9NR96 1/20 0.42

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
SCHEMBL4231839 0.90 GPR119 (0.46) VSIRGPR119MAPTSMN1; SMN2TP53
SCHEMBL4053509 0.88 VSIR (0.55) VSIRGPR119MAPTSMN1; SMN2TP53
SCHEMBL13620568 0.87 VSIR (0.56) VSIRGPR119MAPTSMN1; SMN2TP53
SCHEMBL4060803 0.87 SMN1; SMN2 (0.57) VSIRGPR119MAPTSMN1; SMN2TP53
SCHEMBL4054393 0.86 VSIR (0.53) VSIRGPR119MAPTSMN1; SMN2TP53
SCHEMBL4059361 0.86 VSIR (0.53) VSIRGPR119MAPTSMN1; SMN2TP53
SCHEMBL4053854 0.85 VSIR (0.55) VSIRGPR119MAPTSMN1; SMN2TP53
SCHEMBL4060165 0.83 VSIR (0.58) VSIRGPR119MAPTSMN1; SMN2TP53
SCHEMBL4054615 0.83 VSIR (0.61) VSIRGPR119F2RL3
SCHEMBL4236875 0.82 GPR119 (0.49) GPR119MAPTSMN1; SMN2TP53MEN1

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 1677/4885MAPT 4026/4885

“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.