SCHEMBL16591237

SCHEMBL16591237

C[C@H]1C[C@](C#N)(c2cc(F)cc(F)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 1/20 0.33
CCR2 P41597 1/20 0.33
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
KDM1A O60341 2/20 0.30
SLC6A4 P31645 2/20 0.30

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
SCHEMBL16591230 0.83 KDM1A (0.47) SLC6A3CHRNA1CHRNB1CHRNB2SLC6A2
SCHEMBL17985231 0.81 EPAS1 (0.33) SLC6A3CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL16591186 0.81 EPAS1 (0.33) SLC6A3CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL16591486 0.81 CCR2 (0.42) SLC6A3CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL19262174 0.81 PDE4A (0.33) CCR2PDE4APDE4BPDE4CPDE4D
SCHEMBL6994236 0.78 OPRL1 (0.39) SLC6A3SLC6A2SLC6A4
SCHEMBL1839257 0.78 OPRM1 (0.34)
SCHEMBL7985502 0.77 SLC6A2 (0.33) SLC6A3SLC6A2SLC6A4
SCHEMBL18742483 0.75 NPC1 (0.36)
SCHEMBL21820655 0.75 NPC1 (0.39) SLC6A3SLC6A4

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 3 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
WO-2015042243-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-26 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-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS GRM2, GRIK2, GRIA2 SLC6A3 508/4885CHRNA1 1622/4885CHRNG 2554/4885

“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.