SCHEMBL9963127

SCHEMBL9963127

CC(C)N1CC2CC(n3cccn3)CC2C1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 4/20 0.36
LMNA P02545 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL18294304 0.86 LRRK2 (0.34) ELOVL1LMNAHCAR2HRH3
SCHEMBL12836062 0.81 ELOVL1 (0.38) ELOVL1HCAR2
SCHEMBL9963120 0.77 LMNA (0.40) ELOVL1LMNAHCAR2HRH3
SCHEMBL9963130 0.77 HCAR2 (0.31) HCAR2
SCHEMBL12534060 0.76 ELOVL1 (0.42) ELOVL1HCAR2
SCHEMBL23102137 0.76 LMNA (0.42) ELOVL1LMNAHCAR2HRH3
SCHEMBL9963128 0.75
SCHEMBL9963134 0.73 ACHE (0.30)
SCHEMBL24780626 0.72 LMNA (0.33) LMNAHRH3
SCHEMBL31318905 0.72 ELOVL1 (0.39) ELOVL1LMNAHCAR2

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-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 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-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ELOVL1 4025/4885LMNA 1824/4885HCAR2 315/4885

“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.