SCHEMBL2216604

SCHEMBL2216604

CC(C)(C)OC(=O)[C@@H]1NC(C(=O)O)Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
RECQL P46063 1/20 0.35
FABP7 O15540 1/20 0.35
FABP3 P05413 1/20 0.35
FABP5 Q01469 1/20 0.35
MAPK1 P28482 2/20 0.34
IDO1 P14902 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1325536 1.00 MAPT (0.43) MAPTGAATSHRNPSR1KDM4E
SCHEMBL29599645 1.00 MAPT (0.43) MAPTGAATSHRNPSR1KDM4E
SCHEMBL2218168 1.00 MAPT (0.43) MAPTGAATSHRNPSR1KDM4E
SCHEMBL3570843 1.00 MAPT (0.43) MAPTGAATSHRNPSR1KDM4E
SCHEMBL8120909 1.00 MAPT (0.43) MAPTGAATSHRNPSR1KDM4E
SCHEMBL21243773 0.83 ESR2 (0.38) MAPTGAAKDM4ESMN1; SMN2MAPK1
SCHEMBL21243769 0.83 ESR2 (0.38) MAPTGAAKDM4ESMN1; SMN2MAPK1
SCHEMBL1202734 0.83 ESR2 (0.38) MAPTGAAKDM4ESMN1; SMN2MAPK1
SCHEMBL28787105 0.82 MAPT (0.53) MAPTGAATSHRNPSR1KDM4E
SCHEMBL27398624 0.82 MAPT (0.53) MAPTGAATSHRNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263608-B2 Melanocortin receptor-specific spiro-piperidine compounds PALATIN TECHNOLOGIES, INC. (US) 2012-09-11 US disclosed
US-20110178080-A1 Melanocortin Receptor-Specific Spiro-Piperidine Compounds PALATIN TECHNOLOGIES, INC. (US) 2011-07-21 US disclosed
WO-2010037081-A1 MELANOCORTIN RECEPTOR-SPECIFIC SPIRO-PIPERIDINE COMPOUNDS PALATIN TECHNOLOGIES, INC. (US) 2010-04-01 WO disclosed
CN-101525374-A Pentapeptide derivative, preparation method and applications thereof INST PHARM & TOXICOLOGY AMMS (CN) 2009-09-09 CN disclosed
EP-1603912-B1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2007-07-18 EP disclosed
US-20070155783-A1 Substituted cyclohexyl and piperidinyl derivates as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-07-05 US disclosed
US-20070037823-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-02-15 US disclosed
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2006-10-26 US disclosed
EP-1606278-A1 SUBSTITUTED CYCLOHEXYL AND PIPERIDINYL DERIVATES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2005-12-21 EP disclosed
EP-1603911-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2005-12-14 EP disclosed
WO-2005054278-A1 SUBSTITUTED N-BENZYL-LACTAM DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-16 WO disclosed
EP-1538159-A1 Substituted N-benzyl-lactam derivatives as melanocortin-4 receptor agonists Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2005-06-08 EP disclosed
EP-1468999-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MyoContract Ltd. (CH) 2004-10-20 EP disclosed
WO-2004083198-A1 SUBSTITUTED CYCLOHEXYL AND PIPERIDINYL DERIVATES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-09-30 WO disclosed
WO-2004083208-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-09-30 WO disclosed
EP-1460069-A1 Substituted cyclohexyl and piperidinyl derivatives as melanocortin-4 receptor modulators MyoContract Ltd. (CH) 2004-09-22 EP disclosed
EP-1460073-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MyoContract Ltd. (CH) 2004-09-22 EP disclosed
EP-1460070-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MyoContract Ltd. (CH) 2004-09-22 EP disclosed
CN-1467219-A Pentapeptide analogues, their preparation and their use 中国人民解放军军事医学科学院毒物药 2004-01-14 CN 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-20070037823-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R MAPT 3852/4885GAA 3903/4885TSHR 222/4885
US-20110178080-A1 Melanocortin Receptor-Specific Spiro-Piperidine Compounds MC1R, MC5R, MC3R MAPT 2005/4885GAA 4186/4885TSHR 66/4885
US-20070155783-A1 Substituted cyclohexyl and piperidinyl derivates as melanocortin-4 receptor modulators MC4R, MC5R, MC3R MAPT 3490/4885GAA 3177/4885TSHR 212/4885
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R MAPT 3664/4885GAA 3805/4885TSHR 257/4885

“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.