SCHEMBL5656309

SCHEMBL5656309

Clc1cccc(N2CCN(CCCCN3CCc4ccccc43)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.67
DRD2 P14416 6/20 0.67
DRD3 P35462 5/20 0.67
DRD4 P21917 3/20 0.67
SIGMAR1 Q99720 1/20 0.59
HTR1A P08908 2/20 0.57
HTR2A P28223 1/20 0.57
HTR7 P34969 1/20 0.57
HTR6 P50406 1/20 0.57
DRD1 P21728 2/20 0.56

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
SCHEMBL5655898 0.82 DRD2 (0.61) KCNH2DRD2DRD3DRD4HTR1A
SCHEMBL5657239 0.82 DRD3 (0.73) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL4525555 0.82 KCNH2 (1.00) KCNH2DRD2SIGMAR1HTR1AHTR2A
SCHEMBL26117575 0.81 DRD2 (0.84) KCNH2DRD2DRD3DRD4SIGMAR1
SCHEMBL5657775 0.81 DRD2 (0.62) KCNH2DRD2DRD3DRD4SIGMAR1
SCHEMBL31651583 0.81 DRD2 (0.84) KCNH2DRD2DRD3DRD4SIGMAR1
SCHEMBL5617439 0.81 DRD2 (0.61) KCNH2DRD2DRD3DRD4SIGMAR1
SCHEMBL5655844 0.81 DRD3 (0.76) DRD2DRD3DRD4HTR2ADRD1
SCHEMBL30767216 0.80 KCNH2 (0.90) KCNH2DRD2SIGMAR1HTR1AHTR2A
SCHEMBL5656983 0.80 DRD3 (0.74) DRD2DRD3DRD4HTR2ADRD1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223765-B2 4-phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2007-05-29 US claimed
US-20060148815-A1 4-Phenyl-1-piperazinyl, -piperidinyl and-tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2006-07-06 US claimed
US-7223765-B2 4-phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2007-05-29 US disclosed
CN-1803784-A 4-phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives LUNDBECK CO AS H (DK) 2006-07-19 CN disclosed
US-7074796-B2 4-phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2006-07-11 US disclosed
US-20060148815-A1 4-Phenyl-1-piperazinyl, -piperidinyl and-tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2006-07-06 US disclosed
CN-1244577-C 4-phenyl-1-piperazinyl, -piperidinyl and-tetrahydropyridinyl derivatives LUNDBECK & CO AS H (DK) 2006-03-08 CN disclosed
EP-1464641-A1 4-Phenyl-piperazinyl, -piperidinyl and tetrahydropyridyl derivatives as dopamine D4 antagonists H. Lundbeck A/S (DK) 2004-10-06 EP disclosed
EP-1246817-B1 4-PHENYL-1-PIPERAZINYL, -PIPERIDINYL AND -TETRAHYDROPYRIDYL DERIVATIVES LUNDBECK & CO AS H (DK) 2004-06-23 EP disclosed
CN-1434819-A 4-phenyl-1-piperazinyl, -piperidinyl and-tetrahydropyridinyl derivatives LUNDBECK & CO AS H (DK) 2003-08-06 CN disclosed
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2003-02-06 US disclosed
EP-1246817-A1 4-PHENYL-1-PIPERAZINYL, -PIPERIDINYL AND -TETRAHYDROPYRIDYL DERIVATIVES H. Lundbeck A/S (DK) 2002-10-09 EP disclosed
WO-2001049679-A1 4-PHENYL-1-PIPERAZINYL, -PIPERIDINYL AND -TETRAHYDROPYRIDYL DERIVATIVES H. LUNDBECK A/S (DK) 2001-07-12 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 (2 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-20060148815-A1 4-Phenyl-1-piperazinyl, -piperidinyl and-tetrahydropyridyl derivatives OPRD1, VDR, GPR4 KCNH2 285/4885DRD2 27/4885DRD3 22/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 KCNH2 333/4885DRD2 3/4885DRD3 2/4885

“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.