SCHEMBL4710158

SCHEMBL4710158

COc1ccc(C(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PPARA Q07869 5/20 0.46
PPARG P37231 4/20 0.46
CXCR3 P49682 1/20 0.46
SYK P43405 1/20 0.45
CACNA1B Q00975 2/20 0.45
ACE P12821 1/20 0.45
TACR1 P25103 2/20 0.44
PPARD Q03181 2/20 0.44
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSS P25774 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL4709255 1.00 NPC1 (0.47) NPC1HPGDRAB9ASMN1; SMN2PPARA
SCHEMBL6622553 0.85 SMN1; SMN2 (0.47) NPC1HPGDRAB9ASMN1; SMN2SMPD1
SCHEMBL28514045 0.83 EGFR (0.50) PPARAPPARGSYKPPARDCTSS
SCHEMBL28514047 0.83 EGFR (0.50) PPARAPPARGSYKPPARDCTSS
SCHEMBL27688789 0.81 PPARA (0.54) PPARAPPARGSYKCACNA1BACE
SCHEMBL10883348 0.81 PPARA (0.54) SMN1; SMN2PPARAPPARGSYKACE
SCHEMBL12888369 0.81 PPARA (0.54) PPARAPPARGSYKCACNA1BACE
SCHEMBL15941011 0.81 PPARA (0.54) PPARAPPARGSYKCACNA1BACE
SCHEMBL2899548 0.81 PPARA (0.54) SMN1; SMN2PPARAPPARGSYKACE
SCHEMBL2707177 0.81 PPARA (0.56) PPARAPPARGSYKACECTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935885-A2 Melanin concentrating hormone receptor ligands : substituted 1-benzyl-4-aryl piperazine analogues. NEUROGEN CORPORATION (US) 2008-06-25 EP disclosed
US-7241765-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORPORATION (US) 2007-07-10 US disclosed
US-20060229298-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues HUTCHISON ALAN 2006-10-12 US disclosed
US-7081458-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORP. (US) 2006-07-25 US disclosed
US-6953801-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORPORATION (US) 2005-10-11 US disclosed
US-20050182068-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues HUTCHISON ALAN (US) 2005-08-18 US disclosed
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION 2005-03-24 US disclosed
EP-1389189-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2004-02-18 EP disclosed
WO-2002094799-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2002-11-28 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 (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-20060229298-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues MCHR1, MCHR2, MC1R NPC1 1225/4885HPGD 1505/4885RAB9A 1733/4885
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES MCHR1, MCHR2, MC1R NPC1 1225/4885HPGD 1505/4885RAB9A 1733/4885
US-20050182068-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues MCHR1, MCHR2, MC1R NPC1 1225/4885HPGD 1505/4885RAB9A 1733/4885

“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.