SCHEMBL17985304

SCHEMBL17985304

N#C[C@]1(c2ccc(F)cc2)C[C@@H](O)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
HSD11B1 P28845 4/20 0.39
CYP2D6 P10635 1/20 0.38
CCR2 P41597 1/20 0.36
ALDH1A1 P00352 2/20 0.35
IDO1 P14902 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL1557855 1.00 MAOB (0.41) MAOBMAOAHSD11B1CYP2D6CCR2
SCHEMBL1557878 0.82 CYP2D6 (0.46) HSD11B1CYP2D6ALDH1A1NPC1LMNA
SCHEMBL17985201 0.82 CYP2D6 (0.46) HSD11B1CYP2D6ALDH1A1NPC1LMNA
SCHEMBL1557880 0.82 CYP2D6 (0.46) HSD11B1CYP2D6ALDH1A1NPC1LMNA
SCHEMBL17985231 0.81 EPAS1 (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL17985230 0.81 EPAS1 (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL16591186 0.81 EPAS1 (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL25382786 0.81 WDR5 (0.35) HSD11B1PDE4APDE4BPDE4CPDE4D
SCHEMBL16591486 0.81 CCR2 (0.42) MAOBMAOAHSD11B1CYP2D6CCR2
SCHEMBL16422374 0.81 MAOB (0.50) MAOBMAOAHSD11B1CYP2D6ALDH1A1

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-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-08-18 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-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS GRM2, GRIK2, GRIA2 MAOB 2484/4885MAOA 3333/4885HSD11B1 3905/4885

“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.