SCHEMBL2945155

SCHEMBL2945155

CC(C)(C)OC(=O)N1CCC([C@@H](CC2(N)CC2)C2CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
HPGD P15428 1/20 0.45
DPP4 P27487 2/20 0.45
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR119 Q8TDV5 5/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EED O75530 1/20 0.38
RBBP4 Q09028 1/20 0.38
SUZ12 Q15022 1/20 0.38
EZH2 Q15910 1/20 0.38

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
SCHEMBL13515440 0.83 EPHX1 (0.55) EPHX1HPGDDPP4MAPTALDH1A1
SCHEMBL13630786 0.81 EPHX1 (0.48) EPHX1HPGDDPP4MAPTALDH1A1
SCHEMBL2940071 0.81 EPHX1 (0.48) EPHX1HPGDDPP4MAPTALDH1A1
SCHEMBL2944912 0.81 EPHX1 (0.52) EPHX1HPGDDPP4MAPTALDH1A1
SCHEMBL2945143 0.79 EPHX1 (0.53) EPHX1HPGDDPP4MAPTALDH1A1
SCHEMBL2939689 0.79 EPHX1 (0.53) EPHX1HPGDDPP4MAPTALDH1A1
SCHEMBL13630780 0.79 EPHX1 (0.50) EPHX1HPGDDPP4MAPTALDH1A1
SCHEMBL2938759 0.77 EPHX1 (0.51) EPHX1HPGDDPP4MAPTALDH1A1
SCHEMBL21644142 0.75 HPGD (0.47) EPHX1HPGDMAPTRECQLGPR119
SCHEMBL90592 0.74 USP2 (0.45) EPHX1HPGDDPP4MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773338-B1 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2010-01-06 EP disclosed
EP-1773338-B1 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2010-01-06 EP 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-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
US-20070191433-A1 Acylated piperidine derivatives as melanocortin 4-receptor agonists MERCK SHARP & DOHME CORP. 2007-08-16 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-20070191433-A1 Acylated piperidine derivatives as melanocortin 4-receptor agonists MC4R, MC5R, MC3R EPHX1 3891/4885HPGD 2385/4885DPP4 138/4885

“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.