SCHEMBL2244113

SCHEMBL2244113

N#Cc1ccc(COC2CNC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.59
SLC6A2 P23975 4/20 0.59
SLC6A3 Q01959 4/20 0.59
KCNH2 Q12809 4/20 0.59
DRD4 P21917 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MAOB P27338 1/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
CYP2A6 P11509 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
TACR1 P25103 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.41
NAAA Q02083 4/20 0.41

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
SCHEMBL4696607 0.89 SLC6A2 (0.75) SLC6A4SLC6A2SLC6A3KCNH2DRD4
SCHEMBL4407320 0.89 SLC6A2 (0.75) SLC6A4SLC6A2SLC6A3KCNH2DRD4
SCHEMBL3118256 0.85 SLC6A2 (0.62) SLC6A4SLC6A2SLC6A3KCNH2DRD4
SCHEMBL7062835 0.81 DRD4 (0.58) SLC6A4SLC6A2SLC6A3KCNH2DRD4
SCHEMBL8449011 0.79 DRD4 (0.56) SLC6A4SLC6A2SLC6A3KCNH2DRD4
SCHEMBL507357 0.77 DRD4 (0.48) SLC6A4SLC6A2SLC6A3KCNH2DRD4
SCHEMBL3130245 0.77 DRD4 (0.48) SLC6A4SLC6A2SLC6A3KCNH2DRD4
SCHEMBL18792538 0.77 NAAA (0.50) SLC6A4SLC6A2SLC6A3KCNH2DRD4
SCHEMBL19281802 0.77 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL17460169 0.77 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3

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
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-20150150856-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2015-06-04 US 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
EP-2361251-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES Galapagos N.V. (BE) 2011-08-31 EP 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
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 (4 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 SLC6A4 4238/4885SLC6A2 4604/4885SLC6A3 4617/4885
US-10206907-B2 Compounds useful for the treatment of degenerative and inflammatory diseases TRAF6, TLR6, IL6 SLC6A4 4257/4885SLC6A2 4545/4885SLC6A3 4624/4885
US-20170035738-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TLR6, TRAF6, BMP6 SLC6A4 4238/4885SLC6A2 4604/4885SLC6A3 4617/4885
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TRAF6, IL6, TLR6 SLC6A4 4381/4885SLC6A2 4632/4885SLC6A3 4653/4885

“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.