SCHEMBL4710395

SCHEMBL4710395

COc1ccc(CN2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2C)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.44
DPP4 P27487 2/20 0.43
CCR1 P32246 2/20 0.42
HCRTR1 O43613 1/20 0.42
NR1H2 P55055 6/20 0.42
NR1H3 Q13133 6/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL14452964 1.00 NOTUM (0.44) NOTUMDPP4CCR1HCRTR1NR1H2
SCHEMBL4711522 1.00 NOTUM (0.44) NOTUMDPP4CCR1HCRTR1NR1H2
SCHEMBL14160151 0.91 NOTUM (0.43) NOTUMDPP4CCR1NR1H2NR1H3
SCHEMBL4711921 0.88 L3MBTL1 (0.44) DPP4CCR1KDM4EALDH1A1DRD2
SCHEMBL4710533 0.88 L3MBTL1 (0.44) DPP4CCR1KDM4EALDH1A1DRD2
SCHEMBL4710879 0.88 L3MBTL1 (0.44) DPP4CCR1KDM4EALDH1A1DRD2
SCHEMBL4711818 0.83 DRD2 (0.58) KDM4EALDH1A1NPSR1DRD2DRD4
SCHEMBL14160041 0.83 NR1H2 (0.48) NOTUMDPP4NR1H2NR1H3
SCHEMBL5183039 0.78 EBP (0.50) KDM4EALDH1A1NPSR1DRD2DRD4
SCHEMBL4710185 0.77 SMN1; SMN2 (0.68) NOTUMCCR1HCRTR1KDM4EALDH1A1

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 17 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 claimed
US-20060229298-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues HUTCHISON ALAN 2006-10-12 US claimed
EP-1389189-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2004-02-18 EP claimed
WO-2002094799-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2002-11-28 WO claimed
EP-1935885-A2 Melanin concentrating hormone receptor ligands : substituted 1-benzyl-4-aryl piperazine analogues. NEUROGEN CORPORATION (US) 2008-06-25 EP disclosed
US-20080044353-A1 Combination Therapy for Weight Management NEUROGEN CORPORATION 2008-02-21 US disclosed
EP-1729762-A4 COMBINATION THERAPY FOR WEIGHT MANAGEMENT NEUROGEN CORP (US) 2007-12-19 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
EP-1729762-A2 COMBINATION THERAPY FOR WEIGHT MANAGEMENT NEUROGEN CORPORATION (US) 2006-12-13 EP 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
WO-2005094305-A2 COMBINATION THERAPY FOR WEIGHT MANAGEMENT NEUROGEN CORPORATION (US) 2005-10-13 WO 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 (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-20080044353-A1 Combination Therapy for Weight Management CNR1, CNR2, MCHR1 NOTUM 1873/4885DPP4 1017/4885CCR1 287/4885
US-20060229298-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues MCHR1, MCHR2, MC1R NOTUM 4373/4885DPP4 2134/4885CCR1 808/4885
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES MCHR1, MCHR2, MC1R NOTUM 4373/4885DPP4 2134/4885CCR1 808/4885
US-20050182068-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues MCHR1, MCHR2, MC1R NOTUM 4373/4885DPP4 2134/4885CCR1 808/4885

“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.