SCHEMBL2240382

SCHEMBL2240382

N#Cc1ccc(OCC2CNC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.61
SLC6A4 P31645 5/20 0.61
SLC6A3 Q01959 3/20 0.56
SIGMAR1 Q99720 5/20 0.54
KCNH2 Q12809 3/20 0.54
HTR3A P46098 1/20 0.54
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
KDM1A O60341 5/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
RCOR1 Q9UKL0 1/20 0.46

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
SCHEMBL4238409 0.85 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3SIGMAR1KCNH2
SCHEMBL3244911 0.84 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3SIGMAR1KCNH2
SCHEMBL20766385 0.82 SIGMAR1 (0.73) SLC6A2SLC6A4SLC6A3SIGMAR1KCNH2
SCHEMBL2301711 0.82 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL25727760 0.79 SIGMAR1 (0.64) SLC6A2SLC6A4SLC6A3SIGMAR1KCNH2
SCHEMBL25379677 0.79 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3SIGMAR1KCNH2
SCHEMBL21618371 0.79 TDP1 (0.49) SLC6A2SLC6A4SLC6A3KCNH2HTR3A
SCHEMBL2298790 0.79 LTA4H (0.46) SLC6A2SLC6A4SLC6A3TDP1
SCHEMBL2296643 0.79 TDP1 (0.67) SLC6A2SLC6A4SLC6A3KDM1AKMT2A
SCHEMBL15301000 0.79 TDP1 (0.45) SLC6A2SLC6A4SLC6A3KCNH2HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2019-02-19 US disclosed
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2017-02-09 US disclosed
US-9415037-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2016-08-16 US disclosed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2015-06-04 US disclosed
CN-102105471-B Novel compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS N.V. (BE) 2014-10-15 CN disclosed
US-8853240-B2 Compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2014-10-07 US disclosed
EP-2361251-B1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-04-30 EP 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
EP-2361251-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES Galapagos N.V. (BE) 2011-08-31 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2011-08-04 US disclosed
CN-102105471-A Novel compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV 2011-06-22 CN disclosed
WO-2010010190-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 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 (5 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-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 SLC6A2 4604/4885SLC6A4 4238/4885SLC6A3 4617/4885
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases TRAF6, TLR6, IL6 SLC6A2 4545/4885SLC6A4 4257/4885SLC6A3 4624/4885
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 SLC6A2 4604/4885SLC6A4 4238/4885SLC6A3 4617/4885
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TRAF6, IL6, TLR6 SLC6A2 4632/4885SLC6A4 4381/4885SLC6A3 4653/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I SLC6A2 475/4885SLC6A4 502/4885SLC6A3 1199/4885

“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.