SCHEMBL17399093

SCHEMBL17399093

CCC(=O)N[C@H]1CCc2ccc(CO)cc2[C@H]1Cc1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.42
NPY5R Q15761 16/20 0.42
TRPV1 Q8NER1 2/20 0.41

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
SCHEMBL17399096 0.89 SLC6A9 (0.52) SLC6A9NPY5RTRPV1
SCHEMBL16473210 0.89 SLC6A9 (0.52) SLC6A9NPY5RTRPV1
SCHEMBL16659175 0.89 SLC6A9 (0.52) SLC6A9NPY5RTRPV1
SCHEMBL17399092 0.88 TRPV1 (0.46) SLC6A9TRPV1
SCHEMBL15544210 0.87 MTNR1A (0.48) NPY5RTRPV1
SCHEMBL17399094 0.77 TRPV1 (0.43) SLC6A9NPY5RTRPV1
SCHEMBL15545336 0.76 TRPV1 (0.49) SLC6A9NPY5RTRPV1
SCHEMBL15324092 0.76 SLC6A9 (0.41) SLC6A9NPY5RTRPV1
SCHEMBL15323975 0.76 SLC6A9 (0.43) SLC6A9NPY5RTRPV1
Hydrochloric Acid SCHEMBL3100983 0.76 SLC6A9 (0.40) SLC6A9NPY5RTRPV1

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-20160145197-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES ABBVIE INC. 2016-05-26 US disclosed
US-9227901-B2 Process for preparing bicyclic amine derivatives ABBVIE INC. (US) 2016-01-05 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-20160145197-A1 PROCESS FOR PREPARING BICYCLIC AMINE DERIVATIVES HRH4, HRH3, HRH1 SLC6A9 2885/4885NPY5R 1189/4885TRPV1 3747/4885

“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.