SCHEMBL9965964

SCHEMBL9965964

CN1CCC2(CC1)C(=O)NCC2c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.64
OPRM1 P35372 7/20 0.63
SLC6A5 Q9Y345 3/20 0.63
OPRL1 P41146 1/20 0.63
KCNH2 Q12809 1/20 0.63

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
SCHEMBL9963252 0.85 SLC6A9 (0.67) SLC6A9OPRM1SLC6A5OPRL1KCNH2
SCHEMBL1138302 0.81 SLC6A9 (0.58) SLC6A9OPRM1SLC6A5OPRL1KCNH2
SCHEMBL1138335 0.80 SLC6A9 (0.56) SLC6A9OPRM1SLC6A5OPRL1KCNH2
SCHEMBL5562056 0.79 SLC6A9 (1.00) SLC6A9OPRM1SLC6A5OPRL1
SCHEMBL1138219 0.78 SLC6A9 (1.00) SLC6A9OPRM1SLC6A5OPRL1KCNH2
SCHEMBL5556394 0.78 SLC6A9 (1.00) SLC6A9OPRM1OPRL1KCNH2
SCHEMBL16714470 0.78 SLC6A9 (1.00) SLC6A9OPRM1SLC6A5OPRL1KCNH2
SCHEMBL5557027 0.78 SLC6A9 (1.00) SLC6A9OPRM1OPRL1KCNH2
SCHEMBL1138222 0.78 SLC6A9 (1.00) SLC6A9OPRM1SLC6A5OPRL1KCNH2
SCHEMBL4334410 0.78 SLC6A9 (0.53) SLC6A9OPRM1SLC6A5OPRL1KCNH2

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 5 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
WO-2011025690-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-03-03 WO disclosed
US-7597884-B2 Hyperglycosylated polypeptide variants and methods of use ALIOS BIOPHARMA, INC. (US) 2009-10-06 US disclosed
US-7597884-B2 Hyperglycosylated polypeptide variants and methods of use ALIOS BIOPHARMA, INC. (US) 2009-10-06 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 SLC6A9 3427/4885OPRM1 52/4885SLC6A5 3309/4885

“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.