SCHEMBL17595671

SCHEMBL17595671

COC(=O)c1cccc(C2CCN(C(=O)O)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.51
KMO O15229 1/20 0.48
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD11B1 P28845 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44
LMNA P02545 2/20 0.44
DRD2 P14416 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.43
EPHX2 P34913 1/20 0.43
MEN1 O00255 1/20 0.43
QDPR P09417 1/20 0.43

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
SCHEMBL20658828 0.92 RBP4 (0.49) RBP4KMOKMT2AALDH1A1KDM4E
SCHEMBL18586404 0.90 PARP10 (0.54) RBP4ALDH1A1KDM4EHSD11B1CHRM4
SCHEMBL3318104 0.89 RBP4 (0.51) RBP4KMOKMT2AALDH1A1KDM4E
SCHEMBL31704907 0.87 RBP4 (0.49) RBP4KMOKMT2AALDH1A1KDM4E
SCHEMBL26471704 0.86 KMT2A (0.50) RBP4KMOKMT2AALDH1A1KDM4E
SCHEMBL3154927 0.86 NPY2R (0.48) KMOALDH1A1DRD2TSHR
SCHEMBL27392373 0.86 NAMPT (0.49) RBP4KMT2AALDH1A1KDM4ECHRM2
SCHEMBL3933287 0.85 KMO (0.54) RBP4KMOKMT2AALDH1A1KDM4E
SCHEMBL3862182 0.84 NAMPT (0.53) RBP4KMT2AALDH1A1KDM4EMEN1
SCHEMBL31706257 0.84 NAMPT (0.53) RBP4KMT2AALDH1A1KDM4EMEN1

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
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 US disclosed
EP-3191485-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE Bristol-Myers Squibb Company (US) 2017-07-19 EP disclosed
WO-2016040417-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 WO 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-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 RBP4 3058/4885KMO 1760/4885KMT2A 1779/4885

“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.