SCHEMBL3144773

SCHEMBL3144773

Fc1ccccc1-n1nc(OC[C@@H]2CNCCO2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.45
▸ SCN5A Q14524 2/20 0.45
▸ SCN2A Q99250 1/20 0.45
▸ SCN3A Q9NY46 1/20 0.45
▸ SCN8A Q9UQD0 1/20 0.45
▸ SLC6A4 P31645 9/20 0.45
▸ SLC6A2 P23975 8/20 0.45
▸ HTR2A P28223 4/20 0.45
▸ SLC6A3 Q01959 3/20 0.45
▸ HTR2B P41595 2/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.43
▸ CHRM3 P20309 2/20 0.43
▸ SGK1 O00141 2/20 0.42
▸ BUB1 O43683 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ OPRD1 P41143 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
SCHEMBL27709339 1.00 SCN9A (0.45) SCN9ASCN5ASCN2ASCN3ASCN8A
SCHEMBL3144780 1.00 SCN9A (0.45) SCN9ASCN5ASCN2ASCN3ASCN8A
Hydrochloric Acid SCHEMBL3158725 0.99 SLC6A4 (0.45) SCN9ASCN5ASCN2ASCN3ASCN8A
Hydrochloric Acid SCHEMBL3158719 0.99 SLC6A4 (0.45) SCN9ASCN5ASCN2ASCN3ASCN8A
Fumaric Acid SCHEMBL3155113 0.92 SLC6A4 (0.43) SCN9ASCN5ASCN2ASCN3ASCN8A
Fumaric Acid SCHEMBL3155107 0.92 SLC6A4 (0.43) SCN9ASCN5ASCN2ASCN3ASCN8A
Maleic Acid SCHEMBL3155103 0.92 SLC6A4 (0.43) SCN9ASCN5ASCN2ASCN3ASCN8A
SCHEMBL3150767 0.90 SCN9A (0.58) SCN9ASCN5ASCN2ASCN3ASCN8A
SCHEMBL3150759 0.90 SCN9A (0.58) SCN9ASCN5ASCN2ASCN3ASCN8A
SCHEMBL3154155 0.90 SLC6A4 (0.44) SCN9ASCN5ASCN2ASCN3ASCN8A

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 11 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
CN-101111494-A Therapeutic pyrazolo[3,4-b]pyridines and indazoles WARNER LAMBERT CO (US) 2008-01-23 — — CN 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
CN-101111494-A Therapeutic pyrazolo[3,4-b]pyridines and indazoles WARNER LAMBERT CO (US) 2008-01-23 — — CN 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 SCN9A 1425/4885SCN5A 520/4885SCN2A 1608/4885
US-20060116376-A1 Therapeutic pyrazolo[3,4-B]pyridines and indazoles P2RX3, P2RX4, ACHE SCN9A 1425/4885SCN5A 520/4885SCN2A 1608/4885
US-20060217376-A1 Therapeutic pyrazolo[3,4-b]pyridines and indazoles P2RX3, P2RX4, ACHE SCN9A 1425/4885SCN5A 520/4885SCN2A 1608/4885

“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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