SCHEMBL514917

SCHEMBL514917

NC(=O)c1cccc2c1cc(C(c1ccccc1)C13CCCC(CN1)C3)n2Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
FABP4 P15090 1/20 0.33
DRD2 P14416 1/20 0.33
HTR6 P50406 1/20 0.33
KCNH2 Q12809 4/20 0.33
PARP1 P09874 2/20 0.33
PLA2G2A P14555 2/20 0.33
OPRK1 P41145 4/20 0.33
SLC6A9 P48067 2/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
VCP P55072 3/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PRKDC P78527 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
SCHEMBL514916 0.75 HTR3E (0.33) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL514915 0.71 SLC6A9 (0.45) DRD2HTR6SLC6A9CNR1CNR2
SCHEMBL515412 0.66 PLA2G2A (0.50) PLA2G2ASLC6A9
SCHEMBL374650 0.64 SLC6A9 (0.38) SLC6A9
SCHEMBL514934 0.61 SLC6A9 (0.49) SLC6A9
SCHEMBL5072005 0.59 PARP1 (0.50) DRD2PARP1OPRK1
SCHEMBL514186 0.59 SLC6A9 (0.63) SLC6A9
SCHEMBL514230 0.58 SLC6A9 (0.51) SLC6A9
SCHEMBL6984365 0.58 PLA2G2A (0.55) PLA2G2A
SCHEMBL28493359 0.58 PARP1 (0.53) PARP1CNR1CNR2

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 HTR3E 956/4885HTR3B 273/4885HTR3A 687/4885

“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.