SCHEMBL19359415

SCHEMBL19359415

CC(NCCC(c1ccccc1)c1cc(N)nc2[nH]nnc12)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.50
▸ OPRM1 P35372 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ SMPD1 P17405 1/20 0.50
▸ DRD1 P21728 1/20 0.50
▸ TBXA2R P21731 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ CASR P41180 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50

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
SCHEMBL22406531 0.85 MPO (0.46) CYP3A4MPOEPXTPO
SCHEMBL22406605 0.85 MPO (0.50) CYP3A4OPRM1HTR1AADORA3SLC6A2
SCHEMBL22406616 0.84 MPO (0.54) CYP3A4MPOEPXTPO
SCHEMBL22406530 0.84 MPO (0.45) CYP3A4MPOEPXTPO
SCHEMBL22406483 0.83 MPO (0.45) CYP3A4MPOEPXTPO
SCHEMBL22406486 0.83 MPO (0.50) CYP3A4MPOEPXTPO
SCHEMBL22406387 0.82 MPO (0.46) CYP3A4MPOEPXTPO
SCHEMBL19380957 0.82 MPO (0.46) CYP3A4MPOEPXTPO
SCHEMBL22406614 0.82 MPO (0.43) CYP3A4SMN1; SMN2NPSR1MPOEPX
SCHEMBL19359334 0.82 MPO (0.69) CYP3A4KMT2AMEN1MPOEPX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 — — US disclosed
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 — — US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 — — US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 — — US disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 — — WO disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 — — 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 (2 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-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX EPX, MPO, SERPINB1 CYP3A4 570/4885OPRM1 1170/4885LMNA 3941/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 CYP3A4 570/4885OPRM1 1170/4885LMNA 3941/4885

“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.

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