SCHEMBL514915

SCHEMBL514915

O=C(NC(c1ccccc1)C12CCCC(CN1)C2)c1cccc2c1ccn2Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 10/20 0.45
NPSR1 Q6W5P4 1/20 0.37
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
DRD2 P14416 1/20 0.34
HTR6 P50406 1/20 0.34
ACACB O00763 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL514934 0.75 SLC6A9 (0.49) SLC6A9
SCHEMBL514186 0.74 SLC6A9 (0.63) SLC6A9
SCHEMBL515412 0.71 PLA2G2A (0.50) SLC6A9
SCHEMBL514917 0.71 HTR3E (0.36) SLC6A9CNR1CNR2DRD2HTR6
SCHEMBL514230 0.70 SLC6A9 (0.51) SLC6A9
SCHEMBL787450 0.69 SLC6A9 (0.74) SLC6A9
SCHEMBL4174502 0.68 SLC6A9 (0.76) SLC6A9
SCHEMBL787486 0.68 SLC6A9 (0.65) SLC6A9
SCHEMBL4182623 0.67 SLC6A9 (0.66) SLC6A9
SCHEMBL13949280 0.67 SLC6A9 (0.66) SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029027-A1 N-[(6-AZA-BICYCLO[3.2.1]OCT-5-YL)-ARYL-METHYL]-HETEROBENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE OF SAME SANOFI (FR) 2012-02-02 US claimed
US-20120029027-A1 N-[(6-AZA-BICYCLO[3.2.1]OCT-5-YL)-ARYL-METHYL]-HETEROBENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE OF SAME SANOFI (FR) 2012-02-02 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-20120029027-A1 N-[(6-AZA-BICYCLO[3.2.1]OCT-5-YL)-ARYL-METHYL]-HETEROBENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE OF SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, C1S SLC6A9 1683/4885NPSR1 1009/4885CNR1 12/4885

“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.