SCHEMBL4710879

SCHEMBL4710879

COc1cc(N2CCN(Cc3ccc(OC)c(OC)c3)[C@H](C)C2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.44
CCR1 P32246 4/20 0.44
DRD4 P21917 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
DPP4 P27487 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4710533 1.00 L3MBTL1 (0.44) L3MBTL1LMNAMAPTCRHBPCRHR2
SCHEMBL4711921 1.00 L3MBTL1 (0.44) L3MBTL1LMNAMAPTCRHBPCRHR2
SCHEMBL4711522 0.88 NOTUM (0.44) L3MBTL1CCR1DRD4DRD2DRD3
SCHEMBL4710395 0.88 NOTUM (0.44) L3MBTL1CCR1DRD4DRD2DRD3
SCHEMBL14452964 0.88 NOTUM (0.44) L3MBTL1CCR1DRD4DRD2DRD3
SCHEMBL4709141 0.82 POLB (0.45) MAPTSMN1; SMN2CCR1DPP4KMT2A
SCHEMBL4710665 0.82 POLB (0.45) MAPTSMN1; SMN2CCR1DPP4KMT2A
SCHEMBL4710679 0.82 POLB (0.45) MAPTSMN1; SMN2CCR1DPP4KMT2A
SCHEMBL14452979 0.81 L3MBTL1 (0.42) L3MBTL1LMNAMAPTCRHBPCRHR2
SCHEMBL14160151 0.78 NOTUM (0.43) CCR1DPP4

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 11 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-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
EP-1729762-A2 COMBINATION THERAPY FOR WEIGHT MANAGEMENT NEUROGEN CORPORATION (US) 2006-12-13 EP 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 (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-20080044353-A1 Combination Therapy for Weight Management CNR1, CNR2, MCHR1 L3MBTL1 3232/4885LMNA 2448/4885MAPT 3153/4885
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES MCHR1, MCHR2, MC1R L3MBTL1 1781/4885LMNA 3910/4885MAPT 2914/4885
US-20050182068-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues MCHR1, MCHR2, MC1R L3MBTL1 1781/4885LMNA 3910/4885MAPT 2914/4885

“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.