SCHEMBL4710190

SCHEMBL4710190

COc1ccc(CN2CCN(c3ccc(Br)c(OC)n3)CC2)cc1Br

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
POLB P06746 1/20 0.51
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 6/20 0.50
STAT3 P40763 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
OGA O60502 1/20 0.44
HTR7 P34969 1/20 0.44
KMT2A Q03164 2/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 1/20 0.43
FAAH O00519 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
SCHEMBL29858194 0.93 KDM4E (0.51) HTTALDH1A1KDM4ETSHRLMNA
SCHEMBL4712990 0.93 KDM4E (0.51) HTTALDH1A1KDM4ETSHRLMNA
SCHEMBL4711626 0.91 CRHBP (0.53) HTTPOLBALDH1A1KDM4ESTAT3
SCHEMBL4709810 0.88 HTT (0.54) HTTALDH1A1KDM4ETSHRLMNA
SCHEMBL4710492 0.84 ALDH1A1 (0.49) POLBALDH1A1KDM4ELMNAMAPK1
SCHEMBL5182353 0.82 EBP (0.52)
SCHEMBL4712941 0.81 MEN1 (0.58) HTTPOLBALDH1A1KDM4ETSHR
SCHEMBL4709136 0.80 LMNA (0.58) HTTPOLBALDH1A1KDM4ELMNA
SCHEMBL14160214 0.79 ALDH1A1 (0.46) HTTALDH1A1KDM4ETSHRLMNA
SCHEMBL4709200 0.78 HTT (0.62) HTTPOLBALDH1A1KDM4ESTAT3

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 28 patents — showing the first 20. 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
CN-1703401-A Substituted 1-benzyl-4-arylpiperazine analogs as ligands for melanin concentrating hormone receptors NEUROGEN CORP (US) 2005-11-30 CN 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-20070249616-A1 Substituted 1-Benzyl-4-Substituted Piperazine Analogues NEUROGEN CORPORATION (US) 2007-10-25 US disclosed
US-20070249616-A1 Substituted 1-Benzyl-4-Substituted Piperazine Analogues NEUROGEN CORPORATION (US) 2007-10-25 US disclosed
US-20070249616-A1 Substituted 1-Benzyl-4-Substituted Piperazine Analogues NEUROGEN CORPORATION (US) 2007-10-25 US disclosed
US-7253168-B2 Substituted 1-benzyl-4-substituted piperazine analogues NEUROGEN CORPORATION (US) 2007-08-07 US disclosed
US-7253168-B2 Substituted 1-benzyl-4-substituted piperazine analogues NEUROGEN CORPORATION (US) 2007-08-07 US disclosed
US-20060009456-A1 Aryl-substituted piperazine derivatives NEUROGEN CORPORATION 2006-01-12 US disclosed
CN-1703401-A Substituted 1-benzyl-4-arylpiperazine analogs as ligands for melanin concentrating hormone receptors NEUROGEN CORP (US) 2005-11-30 CN 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 (5 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 HTT 1183/4885POLB 4406/4885ALDH1A1 4220/4885
US-20070249616-A1 Substituted 1-Benzyl-4-Substituted Piperazine Analogues MCHR1, MCHR2, PRLHR HTT 1289/4885POLB 3884/4885ALDH1A1 793/4885
US-20060009456-A1 Aryl-substituted piperazine derivatives MCHR1, MCHR2, PRLHR HTT 407/4885POLB 4525/4885ALDH1A1 1364/4885
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES MCHR1, MCHR2, MC1R HTT 368/4885POLB 4648/4885ALDH1A1 1263/4885
US-20050182068-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues MCHR1, MCHR2, MC1R HTT 368/4885POLB 4648/4885ALDH1A1 1263/4885

“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.