SCHEMBL16726992

SCHEMBL16726992

CC(OS(C)(=O)=O)c1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.36
CNR2 P34972 1/20 0.35
CNR1 P21554 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.33
ACLY P53396 3/20 0.33
SLC6A4 P31645 1/20 0.33
SLC13A3 Q8WWT9 1/20 0.33
DDR1 Q08345 1/20 0.32
PPARG P37231 3/20 0.32
AHR P35869 1/20 0.32

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
SCHEMBL14972564 0.89 TACR1 (0.43) TACR1
SCHEMBL4528004 0.89 TACR1 (0.43) TACR1
SCHEMBL13484088 0.89 TACR1 (0.43) TACR1
SCHEMBL16726995 0.84 ALDH1A1 (0.39) CNR2CNR1
SCHEMBL18243673 0.84 ALDH1A1 (0.39) CNR2CNR1
SCHEMBL16727030 0.81 RXRA (0.36) TACR1CNR1
SCHEMBL20868028 0.80 EPAS1 (0.36)
SCHEMBL16729460 0.79 TACR1 (0.37) TACR1
SCHEMBL16727026 0.77 RXRA (0.41) TACR1DDR1
SCHEMBL29504989 0.77 ADAMTS4 (0.45) SLC6A4

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
EP-2850083-B1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE JANSSEN PHARMACEUTICALS INC (US) 2016-04-27 EP disclosed
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 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-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 TACR1 709/4885CNR2 1182/4885CNR1 612/4885

“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.