SCHEMBL14701750

SCHEMBL14701750

CC(C)c1cn2cc(N)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
APP P05067 3/20 0.40
PIK3CG P48736 1/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PAX8 Q06710 2/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
KDM5A P29375 1/20 0.33
KDM5C P41229 1/20 0.33
ALDH1A3 P47895 1/20 0.32
TP53 P04637 1/20 0.31

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
Bromide SCHEMBL4471389 0.98 MCHR1 (0.40) MCHR1SCN10AAPPPIK3CGNOS3
SCHEMBL23950992 0.81 PIK3CG (0.38) MCHR1SCN10AAPPPIK3CGNPC1
SCHEMBL10022336 0.81 NPC1 (0.52) MCHR1SCN10AAPPNPC1RAB9A
SCHEMBL798511 0.79 MCHR1 (0.45) MCHR1SCN10AAPPPIK3CGNPC1
SCHEMBL16386820 0.78 RAB9A (0.51) MCHR1APPNPC1RAB9AKDM4E
SCHEMBL1500198 0.78 PIK3CG (0.55) MCHR1SCN10AAPPPIK3CGNPC1
SCHEMBL12197120 0.78 APP (0.46) MCHR1SCN10AAPPNPC1RAB9A
SCHEMBL12880443 0.78 APP (0.46) MCHR1SCN10AAPPPIK3CGNPC1
SCHEMBL23502136 0.75 SCN10A (0.62) MCHR1SCN10ANPC1RAB9AKDM4E
SCHEMBL14701752 0.75 APP (0.49) MCHR1SCN10AAPPNPC1RAB9A

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-9284350-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-03-15 US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 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 (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-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 MCHR1 4381/4885SCN10A 2384/4885APP 469/4885

“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.