SCHEMBL17629295

SCHEMBL17629295

Brc1cc(N2CCOCC2)cc(-n2cccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.54
CHRNA7 P36544 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
PIK3CA P42336 2/20 0.40
MTOR P42345 1/20 0.40
JAK3 P52333 1/20 0.40
NTRK2 Q16620 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 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
SCHEMBL14956464 0.85 HTT (0.54) HTTSMN1; SMN2LMNACHRNA7CHRNA10
SCHEMBL14961830 0.82 HTT (0.56) HTTSMN1; SMN2LMNACHRNA7CHRNA10
SCHEMBL17640894 0.79 NOTUM (0.48) HTTSMN1; SMN2LMNACHRNA7CHRNA10
SCHEMBL24270121 0.77 KDM4E (0.50) HTTSMN1; SMN2LMNAPIK3CARAB9A
SCHEMBL17640920 0.74 SMN1; SMN2 (0.41) HTTSMN1; SMN2LMNARAB9AMAPT
SCHEMBL6209994 0.71 MAPT (0.43) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL221069 0.71 ADORA2A (0.42) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL28640180 0.71 LMNA (0.61) HTTSMN1; SMN2LMNAPIK3CARAB9A
SCHEMBL24269959 0.71 KDM4E (0.44) HTTSMN1; SMN2LMNARAB9AMAPT
SCHEMBL2060797 0.70 LGMN (0.64) HTTSMN1; SMN2LMNACHRNA7CHRNA10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197895-B1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF FIBROTIC DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2020-03-11 EP disclosed
US-10004724-B2 Compounds alpha v beta 6 integrin antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-26 US disclosed
US-10004724-B2 Compounds alpha v beta 6 integrin antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-26 US disclosed
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
EP-3197895-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-08-02 EP disclosed
WO-2016046241-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-31 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 (2 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-10004724-B2 Compounds alpha v beta 6 integrin antagonists ITGAV, ITGB6, ITGB1 HTT 4514/4885SMN1; SMN2 2791/4885LMNA 2882/4885
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS ITGAV, ITGB6, ITGB1 HTT 4553/4885SMN1; SMN2 3236/4885LMNA 3680/4885

“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.