SCHEMBL172569

SCHEMBL172569

CC(C)CCNC1CCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.59
MAOB P27338 4/20 0.59
ADRA2B P18089 2/20 0.59
ADRA2C P18825 2/20 0.59
ADRA1A P35348 2/20 0.59
BCHE P06276 1/20 0.59
ACHE P22303 1/20 0.59
HTR6 P50406 1/20 0.59
PDPK1 O15530 1/20 0.56
KCNA5 P22460 1/20 0.48
MPO P05164 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
SLC18A3 Q16572 1/20 0.42
KDM1A O60341 1/20 0.42
FADS1 O60427 1/20 0.41
EPHX2 P34913 2/20 0.41
PRCP P42785 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR1A P08908 1/20 0.40

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
SCHEMBL23330224 0.85 MAOA (0.64) MAOAMAOBADRA2BADRA2CADRA1A
SCHEMBL354161 0.82 MAOA (0.60) MAOAMAOBADRA2BADRA2CADRA1A
SCHEMBL354583 0.82 MAOA (0.60) MAOAMAOBADRA2BADRA2CADRA1A
SCHEMBL13911216 0.82 MAOA (0.64) MAOAMAOBADRA2BADRA2CADRA1A
SCHEMBL172262 0.82 MAOA (0.64) MAOAMAOBADRA2BADRA2CADRA1A
SCHEMBL5316652 0.80 MEN1 (0.54) MAOAMAOBADRA2BADRA2CADRA1A
SCHEMBL172566 0.79 MAOA (0.60) MAOAMAOBADRA2BADRA2CADRA1A
SCHEMBL18995764 0.79 MAOA (0.59) MAOAMAOBADRA2BADRA2CADRA1A
SCHEMBL6851081 0.78 MAOA (0.68) MAOAMAOBADRA2BADRA2CADRA1A
SCHEMBL10282640 0.78 MAOA (0.68) MAOAMAOBADRA2BADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 US disclosed
US-20200291015-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 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 (3 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-20200291015-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE MPO, NOX5, SERPINB1 MAOA 14/4885MAOB 20/4885ADRA2B 1099/4885
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase MPO, NOX5, SERPINB1 MAOA 14/4885MAOB 20/4885ADRA2B 1099/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR MAOA 905/4885MAOB 741/4885ADRA2B 196/4885

“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.