SCHEMBL4825697

SCHEMBL4825697

COc1cc(Cl)ccc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.54
PDK4 Q16654 1/20 0.53
GRM1 Q13255 9/20 0.52
GRM5 P41594 8/20 0.52
HTR6 P50406 1/20 0.47
JAK1 P23458 1/20 0.46
NAMPT P43490 1/20 0.45
SCN9A Q15858 1/20 0.43
SUV39H2 Q9H5I1 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
QDPR P09417 1/20 0.42

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
SCHEMBL4320016 0.91 CNR1 (0.54) CNR1PDK4GRM1GRM5HTR6
SCHEMBL31223106 0.87 PDK4 (0.53) CNR1PDK4GRM1GRM5HTR6
SCHEMBL24670855 0.87 PDK4 (0.53) CNR1PDK4GRM1GRM5HTR6
SCHEMBL19701841 0.86 CNR1 (0.55) CNR1PDK4GRM1GRM5HTR6
SCHEMBL19701842 0.86 PDK4 (0.53) CNR1PDK4GRM1GRM5HTR6
SCHEMBL4888709 0.86 CNR1 (0.53) CNR1PDK4GRM1GRM5HTR6
SCHEMBL15556190 0.85 CNR1 (0.55) CNR1PDK4GRM1GRM5HTR6
SCHEMBL31342210 0.85 CNR1 (0.55) CNR1PDK4GRM1GRM5HTR6
SCHEMBL23721775 0.85 PDK4 (0.52) CNR1PDK4GRM1GRM5HTR6
SCHEMBL23240953 0.84 CNR1 (0.55) CNR1PDK4GRM1GRM5HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2011-04-14 US disclosed
US-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2011-04-14 US disclosed
EP-2004604-B1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2010-12-01 EP disclosed
WO-2009015867-A1 SUBSTITUTED ARYL OR HETEROARYLPIPERDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-02-05 WO disclosed
EP-2020405-A1 Substituted aryl or heteroarylpiperidine derivatives as melanocortin-4 receptor modulators Santhera Pharmaceuticals (Schweiz) AG (CH) 2009-02-04 EP disclosed
US-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 US disclosed
WO-2007115798-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-10-18 WO disclosed
EP-1842846-A1 Phenylpiperidine derivatives as melanocortin-4 receptor modulators Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-10-10 EP disclosed
EP-1487811-B1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LAB (US) 2007-09-05 EP disclosed
WO-2007096186-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-08-30 WO disclosed
EP-1826201-A1 Substituted phenylpiperidine derivatives as melanocortin-4 receptor modulators Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-08-29 EP disclosed
US-7030115-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2006-04-18 US disclosed
US-20060074085-A1 N-sulfonylurea apoptosis promoters ABBVIE INC. 2006-04-06 US disclosed
EP-1487811-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS Abbott Laboratories (US) 2004-12-22 EP disclosed
US-20030236247-A1 N-sulfonylurea apoptosis promoters ABBVIE INC. 2003-12-25 US disclosed
WO-2003080586-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2003-10-02 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 (4 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-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS BAX, BCL2, BAD CNR1 4030/4885PDK4 1750/4885GRM1 3275/4885
US-20060074085-A1 N-sulfonylurea apoptosis promoters BAX, BCL2, BAD CNR1 4030/4885PDK4 1750/4885GRM1 3275/4885
US-20030236247-A1 N-sulfonylurea apoptosis promoters BAX, BCL2, AIFM1 CNR1 3516/4885PDK4 1745/4885GRM1 2636/4885
US-20110086836-A1 Substituted Phenylpiperidine Derivatives As Melanocortin-4 Receptor Modulators MC4R, MC5R, MC3R CNR1 238/4885PDK4 156/4885GRM1 617/4885

“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.