SCHEMBL4710880

SCHEMBL4710880

CCC1(c2ccccc2)CNCCN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MAPK1 P28482 1/20 0.39
RORC P51449 4/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
ATM Q13315 1/20 0.38
TACR1 P25103 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
OPRM1 P35372 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
CCR5 P51681 1/20 0.36
ABCB1 P08183 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35

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
SCHEMBL18284750 0.83 OPRM1 (0.39) TSHROPRD1OPRK1OPRM1
SCHEMBL8221272 0.81 TSHR (0.42) NR1H2NR1H3RORCTSHRALOX15
SCHEMBL30151394 0.81 NR1H2 (0.40) NR1H2NR1H3MAPK1RORCTSHR
SCHEMBL28637688 0.81 NR1H2 (0.40) NR1H2NR1H3MAPK1RORCTSHR
SCHEMBL25423853 0.79 MAPK1 (0.37) NR1H2NR1H3MAPK1RORCGPR119
SCHEMBL27848384 0.79 GPR119 (0.42) NR1H2NR1H3MAPK1RORCTSHR
SCHEMBL4321471 0.77 STS (0.39) MAPK1TACR1OPRD1OPRK1GPR119
SCHEMBL3733138 0.77 MAPK1 (0.39) NR1H2NR1H3MAPK1RORCTSHR
SCHEMBL27848285 0.76 KDM4E (0.41) NR1H2NR1H3MAPK1TSHRGPR119
SCHEMBL28029544 0.76 MAPK1 (0.39) NR1H2NR1H3MAPK1TSHRGPR119

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 NR1H2 825/4885NR1H3 1180/4885MAPK1 3013/4885
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES MCHR1, MCHR2, MC1R NR1H2 825/4885NR1H3 1180/4885MAPK1 3013/4885
US-20050182068-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues MCHR1, MCHR2, MC1R NR1H2 825/4885NR1H3 1180/4885MAPK1 3013/4885

“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.