SCHEMBL514916

SCHEMBL514916

NC(=O)c1cccc2c1cc(Cc1ccccc1C13CCCC(CN1)C3)n2Cc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33
DRD2 P14416 1/20 0.32
HTR6 P50406 1/20 0.32
FABP4 P15090 2/20 0.32
PLA2G2A P14555 4/20 0.32
KCNH2 Q12809 3/20 0.32
PARP1 P09874 1/20 0.31
OPRK1 P41145 4/20 0.31
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
OPRM1 P35372 2/20 0.31
VCP P55072 2/20 0.31
OPRD1 P41143 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL514917 0.75 HTR3E (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL514423 0.67 OPRL1 (0.39) OPRK1OPRM1OPRD1
SCHEMBL4190528 0.61 PARP1 (0.60) PARP1
SCHEMBL4190535 0.61 PARP1 (0.60) PARP1
SCHEMBL4190436 0.61 PARP1 (0.60) PARP1
SCHEMBL205014 0.61 PARP1 (0.40) PARP1
SCHEMBL205015 0.61 PARP1 (0.40) PARP1
SCHEMBL205365 0.61 PARP1 (0.40) PARP1
SCHEMBL7426694 0.60 MEN1 (0.46) CNR2
SCHEMBL4186783 0.60 PARP1 (0.45) PARP1

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.