SCHEMBL4395950

SCHEMBL4395950

CN1CCN(c2cc[c]nc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
DRD3 P35462 3/20 0.35
KCNH2 Q12809 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
CCNA1 P78396 3/20 0.34
CYP11B2 P19099 1/20 0.33
DRD2 P14416 3/20 0.33
PIM1 P11309 1/20 0.32
KDM1A O60341 1/20 0.31
HDAC1 Q13547 1/20 0.30
PAK1 Q13153 1/20 0.30

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
SCHEMBL2342841 0.78 SLC6A2 (0.40) DRD3KCNH2
SCHEMBL182484 0.78 RAB9A (0.45) HRH3DRD3KCNH2SCN9ASCN10A
SCHEMBL26944367 0.75 DRD3 (0.56) HRH3DRD3KCNH2SCN9ASCN10A
SCHEMBL27774657 0.72 DRD2 (0.58) DRD3SCN9AMEN1NPC1RAB9A
SCHEMBL2337506 0.72 ALDH1A1 (0.46) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL31647196 0.71 HRH3 (0.42) HRH3DRD3KCNH2CYP11B2
SCHEMBL11659873 0.70 DRD2 (0.54) HRH3DRD3SCN9AMEN1NPC1
SCHEMBL23165671 0.70 DRD3 (0.35) HRH3DRD3KCNH2SCN9ASCN10A
SCHEMBL2342728 0.70 HPGD (0.42) HRH3NPC1RAB9A
SCHEMBL2234870 0.70 MEN1 (0.72) DRD3MEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306052-A1 INDENYL DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED 2009-12-10 US disclosed
EP-1833796-A1 INDENYL DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 2007-09-19 EP disclosed
WO-2006061193-A1 INDENYL DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 2006-06-15 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-20090306052-A1 INDENYL DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, INMT, INA HRH3 2097/4885DRD3 233/4885KCNH2 1087/4885

“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.