SCHEMBL2605319

SCHEMBL2605319

CC(=O)NC(C)C12CCC(CC1)N2C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.41
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
PREP P48147 1/20 0.32
FAP Q12884 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
ACACB O00763 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
SCHEMBL2605310 1.00 SLC6A9 (0.41) SLC6A9ALDH1A1TSHRPREPFAP
SCHEMBL2605336 0.76 CHRM2 (0.36) ALDH1A1TSHRPREP
SCHEMBL2605306 0.76 CHRM2 (0.36) ALDH1A1TSHRPREP
SCHEMBL2605312 0.72 CTSK (0.48) SLC6A9ALDH1A1TSHRPREP
SCHEMBL2605320 0.67 SLC6A9 (0.33) SLC6A9
SCHEMBL2605311 0.67 SLC6A9 (0.33) SLC6A9
SCHEMBL2605321 0.66
SCHEMBL2605335 0.63 SLC6A9 (0.40) SLC6A9ALDH1A1TSHR
SCHEMBL20221547 0.63 NPSR1 (0.34) SLC6A9
SCHEMBL17735928 0.62 ALDH1A1 (0.34) ALDH1A1TSHRPREPFAP

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 50/4885ALDH1A1 754/4885TSHR 3969/4885

“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.