SCHEMBL6189513

SCHEMBL6189513

CC(C)(C)OC(=O)N1CCC(Oc2ccc(NCc3nc4cc(C#N)ccc4n3CC(=O)NC3CCCCC3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.53
GPR119 Q8TDV5 1/20 0.49
CETP P11597 2/20 0.45
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
ALK Q9UM73 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6735305 0.93 GPR119 (0.48) F10GPR119CETPALK
SCHEMBL6188847 0.90 GPR119 (0.53) F10GPR119CETPALK
SCHEMBL6735302 0.87 GPR119 (0.48) F10GPR119CETPALK
SCHEMBL6189509 0.86 F10 (0.49) F10GPR119CETPALKKDM4E
SCHEMBL6191546 0.84 F10 (0.50) F10GPR119CETPALK
SCHEMBL6187947 0.83 F10 (0.62) F10GPR119CETP
SCHEMBL6190950 0.79 GPR119 (0.56) F10GPR119CETPALK
SCHEMBL6191999 0.77 GPR119 (0.53) F10GPR119CETPALK
SCHEMBL6192378 0.76 F10 (0.55) F10GPR119CETPNOD2NOD1
SCHEMBL6192383 0.76 F10 (0.55) F10GPR119CETPNOD2NOD1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070714-A9 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2005-10-19 EP disclosed
US-20040006099-A1 Amidine compounds JAPAN TOBACCO INC. 2004-01-08 US disclosed
US-6562828-B1 Novel amidine compound having a blood coagulation factor Xa inhibitory activity JAPAN TOBACCO INC. (JP) 2003-05-13 US disclosed
EP-1070714-A1 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2001-01-24 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-20040006099-A1 Amidine compounds F2, SERPINC1, F12 F10 16/4885GPR119 2900/4885CETP 2058/4885

“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.