SCHEMBL13316248

SCHEMBL13316248

CCOC(=O)CC(CC(C)(C)C)C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP2D6 P10635 1/20 0.35
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
GAA P10253 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
ALDH1A1 P00352 3/20 0.30
CYP3A4 P08684 2/20 0.30
UGT2B7 P16662 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL13316253 0.85 CPN1 (0.35) SLC6A2SLC6A4SLC6A3CPN1CPB2
SCHEMBL13316254 0.80 CPN1 (0.41) SLC6A2SLC6A4SLC6A3CPN1CPB2
SCHEMBL13316244 0.78 DPP4 (0.42) GAAPKMALDH1A1KDM4ELMNA
SCHEMBL3602265 0.77 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6CPN1
SCHEMBL15534191 0.76 MGAM (0.44) CYP2D6SMYD3GAAMGAMSI
SCHEMBL27108548 0.76 CPN1 (0.34) SLC6A2SLC6A4SLC6A3CPN1CPB2
SCHEMBL27742204 0.75 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6CPN1
SCHEMBL13349503 0.74 CPN1 (0.32) CPN1CPB2
SCHEMBL11395732 0.70 L3MBTL1 (0.53) SLC6A2SLC6A4SLC6A3CPN1CPB2
SCHEMBL13316249 0.70 CPN1 (0.34) SLC6A2SLC6A4SLC6A3CPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160306-A1 Acylated Piperidine Derivatives as Melanocortin-4 Receptor Agonists MERCK SHARP & DOHME CORP. 2010-06-24 US disclosed
US-20100160306-A1 Acylated Piperidine Derivatives as Melanocortin-4 Receptor Agonists MERCK SHARP & DOHME CORP. 2010-06-24 US disclosed
US-7618987-B2 Acylated piperidine derivatives as melanocortin 4-receptor agonists MERCK & CO., INC. (US) 2009-11-17 US disclosed
US-7618987-B2 Acylated piperidine derivatives as melanocortin 4-receptor agonists MERCK & CO., INC. (US) 2009-11-17 US disclosed
US-20070191433-A1 Acylated piperidine derivatives as melanocortin 4-receptor agonists MERCK SHARP & DOHME CORP. 2007-08-16 US disclosed
US-20070191433-A1 Acylated piperidine derivatives as melanocortin 4-receptor agonists MERCK SHARP & DOHME CORP. 2007-08-16 US disclosed
WO-2007041061-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2007-04-12 WO 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 (2 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-20100160306-A1 Acylated Piperidine Derivatives as Melanocortin-4 Receptor Agonists MC4R, MC5R, MC3R SLC6A2 569/4885SLC6A4 165/4885SLC6A3 383/4885
US-20070191433-A1 Acylated piperidine derivatives as melanocortin 4-receptor agonists MC4R, MC5R, MC3R SLC6A2 1237/4885SLC6A4 372/4885SLC6A3 886/4885

“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.