SCHEMBL1748989

SCHEMBL1748989

Cc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.53
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PPARA Q07869 6/20 0.51
PPARG P37231 5/20 0.51
SCN9A Q15858 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
PTPN1 P18031 1/20 0.46
CTSS P25774 6/20 0.46
CTSK P43235 5/20 0.46
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
PPARD Q03181 2/20 0.44
TACR1 P25103 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL1748990 1.00 ACE (0.53) ACEMAPTSMN1; SMN2PPARAPPARG
SCHEMBL23544337 0.90 MAPT (0.52) ACEMAPTSMN1; SMN2PPARAPPARG
SCHEMBL31019689 0.89 MAPT (0.51) ACEMAPTSMN1; SMN2PPARAPPARG
SCHEMBL27203736 0.89 ACE (0.52) ACEMAPTSMN1; SMN2PPARAPPARG
SCHEMBL5153113 0.89 ACE (0.52) ACEPPARAPPARGSCN9AITGB3
SCHEMBL7859254 0.89 ACE (0.52) ACEPPARAPPARGSCN9AITGB3
SCHEMBL27207410 0.89 ACE (0.52) ACEMAPTSMN1; SMN2PPARAPPARG
SCHEMBL7859251 0.89 ACE (0.52) ACEPPARAPPARGSCN9AITGB3
SCHEMBL12737917 0.88 PPARA (0.51) ACEMAPTSMN1; SMN2PPARAPPARG
SCHEMBL2796961 0.88 PPARA (0.51) ACEMAPTSMN1; SMN2PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968548-B2 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders including specifically treatment of obesity and related conditions PALATIN TECHNOLOGIES, INC. (US) 2011-06-28 US disclosed
US-7834017-B2 Diamine-containing, tetra-substituted piperazine compounds having identical 1- and 4-substituents PALATIN TECHNOLOGIES, INC. (US) 2010-11-16 US disclosed
WO-2010091164-A1 INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE EXELIXIS, INC. (US) 2010-08-12 WO disclosed
US-7727990-B2 Melanocortin receptor-specific piperazine and keto-piperazine compounds PALATIN TECHNOLOGIES, INC. (US) 2010-06-01 US disclosed
EP-1922072-A2 MELANOCORTIN RECEPTOR-SPECIFIC PIPERAZINE COMPOUNDS WITH DIAMINE GROUPS Palatin Technologies, Inc. (US) 2008-05-21 EP disclosed
EP-1919479-A2 MELANOCORTIN RECEPTOR-SPECIFIC PIPERAZINE AND KETO-PIPERAZINE COMPOUNDS Palatin Technologies, Inc. (US) 2008-05-14 EP disclosed
US-20080070921-A1 Diamine-Containing, Tetra-Substituted Piperazine Compounds Having Identical 1- and 4-Substituents PALATIN TECHNOLOGIES, INC. (US) 2008-03-20 US disclosed
WO-2008017852-A1 DIAMINE-CONTAINING, TETRA- SUBSTITUTED PIPERAZINE COMPOUNDS AS MELANOCORTIN RECEPTOR MODULATORS PALATIN TECHNOLOGIES, INC. (US) 2008-02-14 WO disclosed
WO-2007021990-A2 MELANOCORTIN RECEPTOR-SPECIFIC PIPERAZINE COMPOUNDS WITH DIAMINE GROUPS PALATIN TECHNOLOGIES, INC. (US) 2007-02-22 WO disclosed
WO-2007021991-A2 MELANOCORTIN RECEPTOR-SPECIFIC PIPERAZINE AND KETO-PIPERAZINE COMPOUNDS PALATIN TECHNOLOGIES, INC. (US) 2007-02-22 WO disclosed
US-20060287331-A1 MELANOCORTIN RECEPTOR-SPECIFIC PIPERAZINE COMPOUNDS WITH DIAMINE GROUPS PALATIN TECHNOLOGIES, INC. (US) 2006-12-21 US disclosed
US-20060287332-A1 Melanocortin Receptor-Specific Piperazine and Keto-Piperazine Compounds PALATIN TECHNOLOGIES, INC. (US) 2006-12-21 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 (3 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-20080070921-A1 Diamine-Containing, Tetra-Substituted Piperazine Compounds Having Identical 1- and 4-Substituents NPY1R, MC5R, MC4R ACE 3623/4885MAPT 3963/4885SMN1; SMN2 1190/4885
US-20060287332-A1 Melanocortin Receptor-Specific Piperazine and Keto-Piperazine Compounds MC4R, MC5R, MC1R ACE 4330/4885MAPT 2693/4885SMN1; SMN2 4207/4885
US-20060287331-A1 MELANOCORTIN RECEPTOR-SPECIFIC PIPERAZINE COMPOUNDS WITH DIAMINE GROUPS MC4R, MC1R, MC5R ACE 3994/4885MAPT 2776/4885SMN1; SMN2 4294/4885

“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.