SCHEMBL2123535

SCHEMBL2123535

O=C(O)NC(c1ccccc1)C12CCC(CC1)N2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.73
SLC6A5 Q9Y345 1/20 0.39
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 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
SCHEMBL2605184 0.85 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL2605261 0.80 SLC6A9 (0.74) SLC6A9SLC6A5
SCHEMBL2605291 0.80 SLC6A9 (0.85) SLC6A9SLC6A5
SCHEMBL2605256 0.79 SLC6A9 (0.67) SLC6A9SLC6A5CYP2C9
SCHEMBL2605269 0.78 SLC6A9 (0.61) SLC6A9SLC6A5
SCHEMBL631885 0.78 SLC6A9 (0.59) SLC6A9SLC6A5
SCHEMBL631883 0.77 SLC6A9 (0.64) SLC6A9CYP2C9
SCHEMBL2605382 0.75 SLC6A9 (0.62) SLC6A9
SCHEMBL2605352 0.74 SLC6A9 (1.00) SLC6A9SLC6A5
SCHEMBL2605198 0.74 SLC6A9 (1.00) SLC6A9SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2012-04-19 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-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF SLC1A2, B4GALT1, SLC6A1 SLC6A9 50/4885SLC6A5 33/4885LMNA 3906/4885

“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.