SCHEMBL15627273

SCHEMBL15627273

CC(C)(C)C[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.42
HTR3A P46098 1/20 0.41
LSS P48449 1/20 0.41
DRD2 P14416 1/20 0.41
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL15629800 0.83 DRD2 (0.46) CNR2HTR3ALSSDRD2
SCHEMBL10177690 0.80 HTR2A (0.46) HTR3ALSSESR2
SCHEMBL4461976 0.80 HTR3A (0.43) HTR3ALSSDRD2ESR2
SCHEMBL27392425 0.76 HTR3A (0.40) HTR3ALSSDRD2KDM1AMAOA
SCHEMBL10032835 0.75 FFAR4 (0.47)
SCHEMBL435619 0.74 HTR3A (0.59) HTR3ALSSDRD2ESR2
SCHEMBL15611484 0.73 ESR2 (0.41) HTR3AKDM1AMAOAMAOBESR2
SCHEMBL10177557 0.73 DRD2 (0.49) HTR3ALSSDRD2KDM1AESR2
SCHEMBL1709507 0.72 MEN1 (0.44)
SCHEMBL5389925 0.70 HTR3A (0.47) HTR3ALSSDRD2

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-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-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 CNR2 690/4885HTR3A 213/4885LSS 2584/4885
US-20140088111-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2D6, CYP2C19 CNR2 298/4885HTR3A 400/4885LSS 260/4885
US-20160024088-A1 Novel Pyrido[1,2-a]Pryazines And Their Use in the Treatment of Neurodegenerative and Neurological Disorders PRNP, SNCA, PSEN1 CNR2 690/4885HTR3A 213/4885LSS 2584/4885

“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.