SCHEMBL4884804

SCHEMBL4884804

CC(C)(C)c1ccc2c(c1)C1(CCN(C(=O)OCc3ccccc3)CC1)CN2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1L1 Q9UHC9 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ENPP2 Q13822 1/20 0.42
ATXN2 Q99700 1/20 0.42
XIAP P98170 1/20 0.41
BIRC2 Q13490 1/20 0.41
OPRK1 P41145 3/20 0.41
OPRD1 P41143 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4979370 0.85 MEN1 (0.46) GRIN2BSCN5ASCN9AHDAC1HDAC8
SCHEMBL6099121 0.85 SMN1; SMN2 (0.46) GRIN2BSCN5ASCN9AHDAC1HDAC8
SCHEMBL6099116 0.85 SMN1; SMN2 (0.46) GRIN2BSCN5ASCN9AHDAC1HDAC8
SCHEMBL4979362 0.85 MEN1 (0.46) GRIN2BSCN5ASCN9AHDAC1HDAC8
SCHEMBL15676882 0.85 HDAC1 (0.46) GRIN2BSCN5ASCN9AHDAC1HDAC8
SCHEMBL3728320 0.85 XIAP (0.51) GRIN2BSCN5ASCN9AHDAC1HDAC8
SCHEMBL1196005 0.84 MEN1 (0.51) GRIN2BSCN5ASCN9AHDAC1HDAC8
SCHEMBL1196006 0.84 MEN1 (0.51) GRIN2BSCN5ASCN9AHDAC1HDAC8
Hydrochloric Acid SCHEMBL8582025 0.83 MEN1 (0.50) GRIN2BSCN5ASCN9AHDAC1HDAC8
SCHEMBL4760997 0.83 SCN5A (0.43) SCN5ASCN9AHDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200491-A1 1,2-Dihydro-Spiro[3H-Indole-3,4'-Piperidine] Compounds, as Modulators of the Mas Receptor Novel ARENA PHARMACEUTICALS, INC. 2008-08-21 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-20080200491-A1 1,2-Dihydro-Spiro[3H-Indole-3,4'-Piperidine] Compounds, as Modulators of the Mas Receptor Novel AGTR1, AGTR2, AVPR2 GRIN2B 317/4885SCN5A 623/4885SCN9A 722/4885

“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.