SCHEMBL6186695

SCHEMBL6186695

CC(C)(C)OC(=O)CNc1ccc(C#N)cc1N(C(=O)CNc1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.49
ALK Q9UM73 1/20 0.41
P2RX7 Q99572 1/20 0.39
YAP1 P46937 3/20 0.39
CETP P11597 2/20 0.38
PRMT5 O14744 2/20 0.37
HTT P42858 1/20 0.36
STS P08842 1/20 0.36

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
SCHEMBL7220777 0.89 GPR119 (0.50) GPR119ALKP2RX7YAP1CETP
SCHEMBL6186688 0.82 GPR119 (0.46) GPR119ALKP2RX7YAP1CETP
SCHEMBL8120896 0.76 GPR119 (0.52) GPR119ALKP2RX7YAP1CETP
SCHEMBL6188104 0.75 GPR119 (0.57) GPR119ALKCETP
SCHEMBL6192978 0.72 GPR119 (0.51) GPR119YAP1HTTSTS
SCHEMBL8114017 0.71 GPR119 (0.59) GPR119ALKCETP
SCHEMBL6954502 0.71 GPR119 (0.61) GPR119ALKCETP
SCHEMBL30011218 0.71 GPR119 (0.54) GPR119ALKP2RX7YAP1CETP
SCHEMBL7220781 0.71 GPR119 (0.45) GPR119ALKP2RX7YAP1CETP
SCHEMBL8113514 0.71 GPR119 (0.58) GPR119ALKCETP

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 GPR119 2900/4885ALK 2526/4885P2RX7 2855/4885

“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.