SCHEMBL2298277

SCHEMBL2298277

c1ccc2cc(OCC3C[N]C3)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.62
SLC6A4 P31645 4/20 0.62
HTR3A P46098 2/20 0.62
KCNH2 Q12809 2/20 0.62
SLC6A3 Q01959 3/20 0.59
AGXT P21549 2/20 0.50
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
ALOX5 P09917 1/20 0.47
PTPN7 P35236 1/20 0.45
NISCH Q9Y2I1 1/20 0.44
RAB9A P51151 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL20024437 0.84 SLC6A2 (0.78) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL16902875 0.84 SLC6A2 (0.78) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL22168428 0.79 SLC6A2 (0.71) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL14312038 0.79 SLC6A2 (0.77) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL2299904 0.76 KDM4E (0.42) SLC6A2SLC6A4KCNH2SLC6A3TDP1
SCHEMBL2302428 0.75 TAAR1 (0.52) MAPK1HTTSMN1; SMN2
SCHEMBL2300975 0.75 CHRNB4 (0.52) MAPK1SMN1; SMN2
SCHEMBL2298298 0.75 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL23482986 0.74 SLC6A2 (0.64) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL2227832 0.74 SLC6A2 (1.00) SLC6A2SLC6A4HTR3AKCNH2SLC6A3

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 SLC6A2 475/4885SLC6A4 502/4885HTR3A 945/4885

“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.