SCHEMBL2299760

SCHEMBL2299760

COc1ccccc1OCC1CNC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.57
CHRNB4 P30926 2/20 0.54
CHRNA3 P32297 2/20 0.54
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
HPGD P15428 1/20 0.43
SLC6A4 P31645 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRB2 P07550 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL1477493 0.87 ADRA2C (0.59) ADRA2CCHRNB4CHRNA3SLC6A4ADRB2
SCHEMBL1475538 0.84 CHRNB4 (0.61) ADRA2CCHRNB4CHRNA3HPGDSLC6A4
SCHEMBL28324572 0.83 CHRNB4 (0.58) ADRA2CCHRNB4CHRNA3CA12CA1
SCHEMBL29993440 0.83 CHRNB4 (0.58) ADRA2CCHRNB4CHRNA3CA12CA1
Hydrochloric Acid SCHEMBL27158435 0.83 CHRNB4 (0.59) ADRA2CCHRNB4CHRNA3HPGDSLC6A4
SCHEMBL791939 0.83 TDP1 (0.59) ADRA2CCHRNB4CHRNA3PDE4APDE4B
Hydrochloric Acid SCHEMBL1474990 0.81 TDP1 (0.62) ADRA2CCHRNB4CHRNA3PDE4APDE4B
SCHEMBL14311970 0.79 RXRA (0.42) ADRA2CSLC6A4ADRB2HTR1ASLC6A2
SCHEMBL2301066 0.79 SLC6A2 (0.50) HPGDSLC6A4HTR1ASLC6A2SLC6A3
SCHEMBL2302832 0.79 SSTR4 (0.48) SLC6A4HTR1ASLC6A2SLC6A3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO 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-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I ADRA2C 1208/4885CHRNB4 229/4885CHRNA3 144/4885

“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.