SCHEMBL3154145

SCHEMBL3154145

Fc1ccc(F)c(-n2nc(OC[C@@H]3CNCCO3)c3ccccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 6/20 0.44
▸ SLC6A2 P23975 4/20 0.44
▸ SCN9A Q15858 4/20 0.44
▸ SCN5A Q14524 3/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ SCN3A Q9NY46 1/20 0.44
▸ SCN8A Q9UQD0 1/20 0.44
▸ HTR2A P28223 3/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ SGK1 O00141 3/20 0.42
▸ MKNK1 Q9BUB5 2/20 0.42
▸ EPHA2 P29317 2/20 0.40
▸ BUB1 O43683 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
SCHEMBL3154155 1.00 SLC6A4 (0.44) SLC6A4SLC6A2SCN9ASCN5ASCN2A
Fumaric Acid SCHEMBL3156692 0.93 SLC6A4 (0.43) SLC6A4SLC6A2SCN9ASCN5ASCN2A
Fumaric Acid SCHEMBL3156688 0.93 SLC6A4 (0.43) SLC6A4SLC6A2SCN9ASCN5ASCN2A
Maleic Acid SCHEMBL3156687 0.93 SLC6A4 (0.43) SLC6A4SLC6A2SCN9ASCN5ASCN2A
SCHEMBL3154071 0.93 SLC6A4 (0.47) SLC6A4SLC6A2SCN9ASCN5ASCN2A
SCHEMBL3154076 0.93 SLC6A4 (0.47) SLC6A4SLC6A2SCN9ASCN5ASCN2A
SCHEMBL3158775 0.92 SCN9A (0.48) SLC6A4SLC6A2SCN9ASCN5ASCN2A
SCHEMBL3158767 0.92 SCN9A (0.48) SLC6A4SLC6A2SCN9ASCN5ASCN2A
SCHEMBL3144773 0.90 SCN9A (0.45) SLC6A4SLC6A2SCN9ASCN5ASCN2A
SCHEMBL3144780 0.90 SCN9A (0.45) SLC6A4SLC6A2SCN9ASCN5ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828182-B1 THERAPEUTIC PYRAZOLO[3,4-B]PYRIDINES AND INDAZOLES WARNER LAMBERT CO (US) 2010-03-10 — — EP claimed
US-20080293715-A1 Therapeutic Pyrazolo[3,4-b]Pyridines and Indazoles WARNER LAMBERT COMPANY LLC (US) 2008-11-27 — — US claimed
US-20060116376-A1 Therapeutic pyrazolo[3,4-B]pyridines and indazoles WARNER-LAMBERT COMPANY LLC 2006-06-01 — — US claimed
EP-1828182-B1 THERAPEUTIC PYRAZOLO[3,4-B]PYRIDINES AND INDAZOLES WARNER LAMBERT CO (US) 2010-03-10 — — EP disclosed
US-7485636-B2 Therapeutic pyrazolo[3,4-b]pyridines and indazoles PFIZER INC. (US) 2009-02-03 — — US disclosed
US-20080293715-A1 Therapeutic Pyrazolo[3,4-b]Pyridines and Indazoles WARNER LAMBERT COMPANY LLC (US) 2008-11-27 — — US disclosed
US-7423054-B2 Therapeutic pyrazolo[3,4-b]pyridines and indazoles WARNER LAMBERT COMPANY LLC (US) 2008-09-09 — — US disclosed
US-20060217376-A1 Therapeutic pyrazolo[3,4-b]pyridines and indazoles WARNER-LAMBERT COMPANY LLC 2006-09-28 — — US disclosed
US-20060116376-A1 Therapeutic pyrazolo[3,4-B]pyridines and indazoles WARNER-LAMBERT COMPANY LLC 2006-06-01 — — 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-20080293715-A1 Therapeutic Pyrazolo[3,4-b]Pyridines and Indazoles P2RX3, P2RX4, ACHE SLC6A4 92/4885SLC6A2 355/4885SCN9A 1425/4885
US-20060116376-A1 Therapeutic pyrazolo[3,4-B]pyridines and indazoles P2RX3, P2RX4, ACHE SLC6A4 92/4885SLC6A2 355/4885SCN9A 1425/4885
US-20060217376-A1 Therapeutic pyrazolo[3,4-b]pyridines and indazoles P2RX3, P2RX4, ACHE SLC6A4 92/4885SLC6A2 355/4885SCN9A 1425/4885

“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.

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