SCHEMBL86244

SCHEMBL86244

Cc1nccn2c(C)c(C[C@@H]3CCCCN3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 1/20 0.39
POLB P06746 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
PDE10A Q9Y233 1/20 0.32
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
CHRNA5 P30532 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
DRD2 P14416 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
PHLPP2 Q6ZVD8 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL2514924 0.81 POLB (0.43) CHRNB2CHRNA4POLBHRH3PIM1
SCHEMBL2121371 0.79 POLB (0.41) CHRNB2CHRNA4POLBHRH3PIM1
SCHEMBL7796172 0.78 ALDH1A1 (0.42) CHRNB2CHRNA4POLBHRH3PIM1
SCHEMBL12225862 0.78 POLB (0.38) CHRNB2CHRNA4POLBHRH3CYP1A2
SCHEMBL86542 0.76 CHRNB2 (0.39) CHRNB2CHRNA4POLBHRH3CHRNA5
SCHEMBL2123153 0.74 POLB (0.47) CHRNB2CHRNA4POLBHRH3PIM1
SCHEMBL2123143 0.69 POLB (0.41) CHRNB2CHRNA4POLBHRH3PIM1
SCHEMBL2122934 0.69 POLB (0.41) POLBHRH3PIM1PIM2CYP1A2
SCHEMBL14685176 0.68 PDE10A (0.40) POLBPDE10A
SCHEMBL7856603 0.68 POLB (0.43) CHRNB2CHRNA4POLBHRH3PDE10A

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-8129384-B2 Imidazo[1,2-a]pyrazines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-03-06 US disclosed
US-20110288098-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2011-11-24 US disclosed
US-20100160345-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 US 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-20110288098-A1 NOVEL COMPOUNDS BRD4, HDAC6, ITPR3 CHRNB2 2136/4885CHRNA4 1309/4885POLB 3898/4885
US-20100160345-A1 NOVEL COMPOUNDS BRD4, HDAC6, ITPR3 CHRNB2 2136/4885CHRNA4 1309/4885POLB 3898/4885

“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.