SCHEMBL3606337

SCHEMBL3606337

CC(=O)c1cnn2ccc(O)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
EPHB3 P54753 7/20 0.41
TGFBR1 P36897 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KLF5 Q13887 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 2/20 0.37
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
TYK2 P29597 3/20 0.36
JAK3 P52333 3/20 0.36

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
SCHEMBL13139955 0.83 EPHB3 (0.56) NPC1RAB9AKDM4ETP53SMN1; SMN2
SCHEMBL3612196 0.83 CA12 (0.46) KDM4EMAPTEPHB3KMT2ALMNA
SCHEMBL3077986 0.82 NPC1 (0.44) NPC1RAB9AKDM4ETP53SMN1; SMN2
SCHEMBL3077903 0.82 NPC1 (0.47) NPC1RAB9AKDM4ETP53SMN1; SMN2
SCHEMBL26765489 0.82 EPHB3 (0.58) NPC1RAB9AKDM4ETP53SMN1; SMN2
SCHEMBL3684977 0.80 PIK3CD (0.47) NPC1RAB9AKDM4ETP53SMN1; SMN2
SCHEMBL18412914 0.80 NPC1 (0.49) NPC1RAB9AKDM4ETP53SMN1; SMN2
SCHEMBL17324605 0.80 EPHB3 (0.59) NPC1RAB9AKDM4ETP53SMN1; SMN2
SCHEMBL13139917 0.79 CA12 (0.50) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL18412915 0.78 NPC1 (0.41) NPC1RAB9AKDM4ETP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS DONSBACH, MARTIN (DE) 2010-07-01 US disclosed
EP-2137185-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS Gmeiner, Dr. Peter (DE) 2009-12-30 EP disclosed
WO-2008113559-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS SCHWARZ PHARMA AG (DE) 2008-09-25 WO disclosed
EP-1972628-A1 Indolizines and aza-analog derivatives thereof as CNS active compounds SCHWARZ PHARMA AG (DE) 2008-09-24 EP 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-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS INMT, AANAT, AZI2 NPC1 1657/4885RAB9A 969/4885KDM4E 1276/4885

“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.