SCHEMBL5655640

SCHEMBL5655640

O=C(CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.62
DRD4 P21917 5/20 0.62
DRD3 P35462 4/20 0.62
MAPT P10636 2/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.54
PTPN11 Q06124 2/20 0.54
TSHR P16473 2/20 0.53
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CACNA1G O43497 1/20 0.50
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL5657591 0.94 DRD2 (0.63) DRD2DRD4DRD3MAPTKMT2A
SCHEMBL5657775 0.88 DRD2 (0.62) DRD2DRD4DRD3MAPTKMT2A
SCHEMBL5654699 0.87 KMT2A (0.65) DRD2DRD4DRD3MAPTKMT2A
SCHEMBL5655898 0.85 DRD2 (0.61) DRD2DRD4DRD3MAPTKMT2A
SCHEMBL5657064 0.84 MAPT (0.64) DRD2DRD4DRD3MAPTKMT2A
SCHEMBL5654681 0.83 DRD2 (0.61) DRD2DRD4DRD3MAPTKMT2A
SCHEMBL5656819 0.82 DRD2 (0.67) DRD2DRD4DRD3MAPTKMT2A
SCHEMBL5659607 0.81 HTR1A (0.60) DRD2DRD4DRD3SMN1; SMN2CACNA1G
SCHEMBL5655729 0.80 PTPN11 (0.58) DRD2DRD4DRD3MAPTGAA
SCHEMBL5655777 0.80 HTR1A (0.62) DRD2DRD4DRD3MAPTKMT2A

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
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
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
EP-1246817-B1 4-PHENYL-1-PIPERAZINYL, -PIPERIDINYL AND -TETRAHYDROPYRIDYL DERIVATIVES LUNDBECK & CO AS H (DK) 2004-06-23 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 DRD2 27/4885DRD4 10/4885DRD3 22/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 DRD2 3/4885DRD4 10/4885DRD3 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.