SCHEMBL786908

SCHEMBL786908

CCCN1CC2CC1(C(NC(=O)c1cc(Br)c(Cl)cc1N)c1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 0.51
SLC6A5 Q9Y345 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL787017 0.87 SLC6A9 (0.46) SLC6A9SLC6A5
SCHEMBL787430 0.75 SLC6A9 (0.55) SLC6A9CYP3A4CYP2D6CYP2C9
SCHEMBL786968 0.72 SLC6A9 (0.70) SLC6A9SLC6A5
SCHEMBL786894 0.69 SLC6A9 (0.68) SLC6A9
Hydrochloric Acid SCHEMBL787061 0.68 SLC6A9 (0.67) SLC6A9
SCHEMBL787544 0.68 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL7896447 0.67 SLC6A9 (0.76) SLC6A9SLC6A5
SCHEMBL3711335 0.67 SLC6A9 (0.76) SLC6A9SLC6A5
SCHEMBL787474 0.67 SLC6A9 (0.46) SLC6A9
SCHEMBL786955 0.66 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-20120071536-A1 N-[(2-AZABICYCLO[2.1.1]HEX-1-YL)-ARYL-METHYL]-BENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-22 US claimed
US-20120071536-A1 N-[(2-AZABICYCLO[2.1.1]HEX-1-YL)-ARYL-METHYL]-BENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-22 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-20120071536-A1 N-[(2-AZABICYCLO[2.1.1]HEX-1-YL)-ARYL-METHYL]-BENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF HRH4, NT5C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SLC6A9 3512/4885SLC6A5 832/4885CYP3A4 388/4885

“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.