SCHEMBL4709863

SCHEMBL4709863

COc1ccc(C2CSCC(C(=O)O)N2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 1/20 0.47
ALOX12 P18054 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX15 P16050 1/20 0.45
ACHE P22303 1/20 0.45
KCNH2 Q12809 2/20 0.44
SCN3A Q9NY46 1/20 0.44
KDM4E B2RXH2 3/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GFER P55789 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41
PDE4A P27815 5/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
ATM Q13315 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
SCHEMBL4709165 0.88 TP53 (0.50) ALDH1A1MEN1ALOX12KMT2AKCNH2
SCHEMBL4712198 0.82 KCNH2 (0.57) ALDH1A1MEN1ALOX12KMT2AACHE
Hydrochloric Acid SCHEMBL11234724 0.81 KCNH2 (0.56) ALDH1A1MEN1ALOX12KMT2AACHE
Hydrochloric Acid SCHEMBL11234717 0.81 KCNH2 (0.56) ALDH1A1MEN1ALOX12KMT2AACHE
Hydrochloric Acid SCHEMBL11234719 0.81 KCNH2 (0.56) ALDH1A1MEN1ALOX12KMT2AACHE
SCHEMBL5794133 0.80 KCNH2 (0.50) ALDH1A1MEN1ALOX12KMT2AACHE
SCHEMBL5794125 0.80 KCNH2 (0.50) ALDH1A1MEN1ALOX12KMT2AACHE
SCHEMBL13236204 0.80 ALDH1A1 (0.64) ALDH1A1MEN1ALOX12KMT2AALOX15
SCHEMBL4709071 0.80 KCNH2 (0.50) ALDH1A1MEN1ALOX12KMT2AACHE
SCHEMBL3390933 0.71 KCNH2 (0.52) ALDH1A1MEN1ALOX12KMT2AKCNH2

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 10 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
CN-1703401-A Substituted 1-benzyl-4-arylpiperazine analogs as ligands for melanin concentrating hormone receptors NEUROGEN CORP (US) 2005-11-30 CN 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 ALDH1A1 1263/4885MEN1 1425/4885ALOX12 3766/4885
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES MCHR1, MCHR2, MC1R ALDH1A1 1263/4885MEN1 1425/4885ALOX12 3766/4885
US-20050182068-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues MCHR1, MCHR2, MC1R ALDH1A1 1263/4885MEN1 1425/4885ALOX12 3766/4885

“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.