SCHEMBL2124777

SCHEMBL2124777

CN1C2CCC1(C(c1ccccc1)N(C(=O)O)C(C)(C)C)CC2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.49
SLC6A5 Q9Y345 1/20 0.35
CYP2D6 P10635 2/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCR5 P51681 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL4239283 0.84 SLC6A9 (0.50) SLC6A9SLC6A5
SCHEMBL4241807 0.84 SLC6A9 (0.50) SLC6A9SLC6A5
SCHEMBL4249594 0.84 SLC6A9 (0.50) SLC6A9SLC6A5
SCHEMBL4241759 0.76 SLC6A9 (0.36) SLC6A9SLC6A5CYP2C9
SCHEMBL4238321 0.76 SLC6A9 (0.36) SLC6A9SLC6A5CYP2C9
SCHEMBL4243958 0.75 OXTR (0.34) CYP2C9
SCHEMBL3708435 0.72 SLC6A9 (0.76) SLC6A9SLC6A5
SCHEMBL2124780 0.71 SLC6A9 (0.43) SLC6A9SLC6A5CYP2D6LMNACYP2C9
SCHEMBL2605333 0.71 SLC6A9 (0.62) SLC6A9SLC6A5
SCHEMBL2605325 0.71 SLC6A9 (0.62) 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 33/4885CYP2D6 410/4885

“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.