SCHEMBL6494664

SCHEMBL6494664

CNCc1nccn1-c1ccc2c(c1)CCN2C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.41
MPO P05164 1/20 0.40
CYP11B2 P19099 1/20 0.40
DHODH Q02127 1/20 0.39
F10 P00742 3/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
STAT3 P40763 1/20 0.37
STAT1 P42224 1/20 0.37
KLF5 Q13887 1/20 0.37
USP30 Q70CQ3 1/20 0.36
BRD4 O60885 1/20 0.36
TSHR P16473 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
SCHEMBL6506289 0.85 F10 (0.52) GPR119MPOCYP11B2DHODHF10
SCHEMBL6492585 0.84 F10 (0.53) GPR119MPOCYP11B2DHODHF10
SCHEMBL5625864 0.81 CYP11B2 (0.41) GPR119MPOCYP11B2DHODHBRD4
SCHEMBL1998284 0.77 F10 (0.43) GPR119MPOCYP11B2DHODHF10
SCHEMBL30681471 0.76 DRD3 (0.46) GPR119DHODHGAAKDM4ENPC1
SCHEMBL30681413 0.76 GPR119 (0.49) GPR119MPOCYP11B2DHODHTP53
SCHEMBL8257530 0.72 HTR6 (0.46) GPR119MPODHODHBRD4
SCHEMBL28429340 0.72 GPR119 (0.45) GPR119DHODHALDH1A1SMN1; SMN2USP30
SCHEMBL1165188 0.72 CYP11B2 (0.42) GPR119MPOCYP11B2DHODHALDH1A1
SCHEMBL3899182 0.72 ESR2 (0.61) GPR119MPODHODHKDM4EBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 US 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-20030212054-A1 Substituted amino methyl factor Xa inhibitors F11, F10, F9 GPR119 3600/4885MPO 1034/4885CYP11B2 3338/4885

“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.