SCHEMBL20596703

SCHEMBL20596703

CCN(C(=O)COC(=O)C(F)(F)F)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.40
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 4/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.37
CASP6 P55212 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNH2 Q12809 2/20 0.36
HPGD P15428 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
SCHEMBL22797936 0.89 SLC6A4 (0.41) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL22449324 0.86 SLC6A2 (0.39) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL22797956 0.86 TACR1 (0.39) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL22797790 0.85 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL22797911 0.85 SLC6A2 (0.44) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL27176078 0.83 TACR1 (0.37) TACR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3006964 0.83 KDM4E (0.38) TACR1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL22797851 0.81 TACR1 (0.36) TACR1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL20596706 0.81 SLC6A4 (0.35) TACR1SLC6A2SLC6A4SLC6A3
SCHEMBL22797904 0.80 TACR1 (0.35) TACR1SLC6A2SLC6A4SLC6A3

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-10167272-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-01-01 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-10167272-B2 Muscarinic agonists CHRM1, CHRM2, CHRM3 TACR1 20/4885SLC6A2 591/4885SLC6A4 789/4885

“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.