SCHEMBL9963153

SCHEMBL9963153

CC(C)N1CCCC2(CC3CCCCN3C2=O)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
BRCA1 P38398 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL14641753 0.81 HSD11B1 (0.34) HSD11B1MEN1MAPTBRCA1KMT2A
SCHEMBL22155723 0.73 ACACB (0.35)
SCHEMBL10168628 0.70 GRIN1 (0.32)
SCHEMBL20420099 0.70 ACACB (0.33)
SCHEMBL31207652 0.68 MEN1 (0.45) HSD11B1MEN1MAPTBRCA1KMT2A
SCHEMBL9963147 0.67 PIK3CD (0.30)
SCHEMBL25908981 0.67 SMN1; SMN2 (0.30)
SCHEMBL25900548 0.66 GRIN1 (0.36)
SCHEMBL23107538 0.66 OTUD7B (0.46)
SCHEMBL16750021 0.66 OTUD7B (0.46)

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-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
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 HSD11B1 432/4885HRH3 250/4885MEN1 4791/4885

“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.