SCHEMBL5657585

SCHEMBL5657585

O=C(CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.55
HTR7 P34969 8/20 0.55
DRD2 P14416 6/20 0.52
CACNA1G O43497 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
AKR1C3 P42330 1/20 0.51
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
DRD1 P21728 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL5659607 0.94 HTR1A (0.60) HTR1AHTR7DRD2CACNA1GDRD4
SCHEMBL5655873 0.88 HTR1A (0.72) HTR1AHTR7DRD2HPGDSMN1; SMN2
SCHEMBL5658350 0.84 HTR7 (0.64) HTR1AHTR7DRD2HPGDHTT
SCHEMBL5657591 0.83 DRD2 (0.63) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL5658383 0.82 HTR1A (0.67) HTR1AHTR7DRD2CACNA1GSMN1; SMN2
SCHEMBL6580645 0.81 HTR1A (0.49) HTR1AHTR7DRD2HPGDNPSR1
SCHEMBL4636681 0.80 HTR1A (0.60) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL22784699 0.80 HDAC3 (0.60) HTR1ADRD2HPGDSMN1; SMN2NPSR1
SCHEMBL5655640 0.79 DRD2 (0.62) DRD2CACNA1GDRD4DRD3SMN1; SMN2
SCHEMBL5655720 0.79 HTR1A (0.69) HTR1AHTR7DRD2CACNA1GDRD4

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 7 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 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
EP-1464641-A1 4-Phenyl-piperazinyl, -piperidinyl and tetrahydropyridyl derivatives as dopamine D4 antagonists H. Lundbeck A/S (DK) 2004-10-06 EP 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 HTR1A 331/4885HTR7 217/4885DRD2 27/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 HTR1A 81/4885HTR7 32/4885DRD2 3/4885

“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.