SCHEMBL15627240

SCHEMBL15627240

Cc1ccccc1O[C@H]1CCC[C@@H]1N

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.50
SLC6A4 P31645 14/20 0.50
SLC6A3 Q01959 11/20 0.50
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
CYP2D6 P10635 7/20 0.37

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
SCHEMBL1496646 0.79 NPY1R (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1GLA
SCHEMBL21312057 0.77 MCHR1 (0.51) SLC6A2SLC6A4SLC6A3ALDH1A1GLA
SCHEMBL10427598 0.77 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1GLA
SCHEMBL1496601 0.76 NPY1R (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1GLA
SCHEMBL13696497 0.76 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1GLA
SCHEMBL27784290 0.76 TRPC6 (0.48) ALDH1A1
SCHEMBL15610913 0.76 SCD (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL15610914 0.76 SCD (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL15610915 0.76 SCD (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL1496734 0.75 NPY1R (0.46) SLC6A2SLC6A4SLC6A3

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-9751877-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2017-09-05 US disclosed
US-20160024088-A1 Novel Pyrido[1,2-a]Pryazines And Their Use in the Treatment of Neurodegenerative and Neurological Disorders PFIZER INC. 2016-01-28 US disclosed
US-9193726-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2015-11-24 US disclosed
US-20150072990-A1 Novel Pyrido[1,2-a]Pryazines And Their Use In The Treatment of Neurodegenerative and Neurological Disorders PFIZER INC. 2015-03-12 US disclosed
US-8916564-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2014-12-23 US disclosed
US-20140088111-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-03-27 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-20150072990-A1 Novel Pyrido[1,2-a]Pryazines And Their Use In The Treatment of Neurodegenerative and Neurological Disorders PRNP, SNCA, PSEN1 SLC6A2 332/4885SLC6A4 335/4885SLC6A3 379/4885
US-20140088111-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2D6, CYP2C19 SLC6A2 683/4885SLC6A4 488/4885SLC6A3 1008/4885
US-20160024088-A1 Novel Pyrido[1,2-a]Pryazines And Their Use in the Treatment of Neurodegenerative and Neurological Disorders PRNP, SNCA, PSEN1 SLC6A2 332/4885SLC6A4 335/4885SLC6A3 379/4885

“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.