SCHEMBL12568547

SCHEMBL12568547

CC1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 18/20 0.58
▸ NOTUM Q6P988 1/20 0.50
▸ TACR1 P25103 1/20 0.47

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
SCHEMBL30425441 0.89 NOTUM (0.60) NPY5RNOTUM
SCHEMBL31572868 0.86 NOTUM (0.55) NPY5RNOTUM
SCHEMBL1997601 0.83 NPY5R (0.69) NPY5RTACR1
SCHEMBL1997600 0.83 NPY5R (0.69) NPY5RTACR1
SCHEMBL861460 0.82 NPY5R (0.52) NPY5RNOTUM
SCHEMBL6026997 0.82 NPY5R (0.58) NPY5RTACR1
SCHEMBL38332 0.82 NPY5R (0.55) NPY5RNOTUM
SCHEMBL30051797 0.82 NPY5R (0.55) NPY5RNOTUM
Hydrochloric Acid SCHEMBL2888051 0.81 NPY5R (0.54) NPY5RNOTUM
Hydrochloric Acid SCHEMBL7123289 0.81 NPY5R (0.54) NPY5RNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960402-B2 Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 — — US disclosed
US-7960402-B2 Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 — — US disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 — — 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-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 NPY5R 75/4885NOTUM 2010/4885TACR1 4/4885

“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.

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