SCHEMBL514186

SCHEMBL514186

CSc1ncccc1C(=O)NC(c1ccccc1)C12CCCC(CN1)C2

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.63
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.44
KMT2A Q03164 4/20 0.41
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL515419 0.92 SLC6A9 (0.53) SLC6A9RAB9AATMKMT2AHPGD
SCHEMBL382359 0.91 SLC6A9 (0.61) SLC6A9RAB9AATMKMT2AHPGD
SCHEMBL514551 0.91 SLC6A9 (0.52) SLC6A9RAB9AATMKMT2AHPGD
SCHEMBL2605270 0.81 SLC6A9 (0.64) SLC6A9RAB9AATMKMT2ANPC1
SCHEMBL514230 0.77 SLC6A9 (0.51) SLC6A9
SCHEMBL3704810 0.77 SLC6A9 (1.00) SLC6A9
SCHEMBL7894785 0.77 SLC6A9 (1.00) SLC6A9
SCHEMBL3788018 0.77 SLC6A9 (1.00) SLC6A9
SCHEMBL2123074 0.77 SLC6A9 (0.76) SLC6A9RAB9AATMKMT2A
SCHEMBL2605316 0.77 SLC6A9 (0.76) SLC6A9RAB9AATMKMT2A

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 1683/4885RAB9A 2459/4885ATM 4729/4885

“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.