SCHEMBL5656889

SCHEMBL5656889

O=C(CCN1CCN(c2ccccc2F)CC1)N1CCc2cc(F)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.58
ALDH1A1 P00352 6/20 0.57
MAPT P10636 4/20 0.57
KDM4E B2RXH2 2/20 0.57
PKM P14618 1/20 0.57
HPGD P15428 1/20 0.57
TP53 P04637 1/20 0.55
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
KMT2A Q03164 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 5/20 0.50
LMNA P02545 3/20 0.50
MPI P34949 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NOTUM Q6P988 1/20 0.49
HTT P42858 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
SCHEMBL5654257 0.94 PTPN11 (0.56) PTPN11ALDH1A1MAPTKDM4EPKM
SCHEMBL5658140 0.93 PTPN11 (0.55) PTPN11ALDH1A1MAPTKDM4EPKM
SCHEMBL5655876 0.92 NOTUM (0.52) PTPN11ALDH1A1MAPTKDM4EPKM
SCHEMBL5656856 0.91 DRD2 (0.57) PTPN11ALDH1A1MAPTKDM4EPKM
SCHEMBL5657822 0.90 DRD2 (0.56) PTPN11ALDH1A1MAPTKDM4EPKM
SCHEMBL5654154 0.90 DRD2 (0.63) PTPN11ALDH1A1MAPTKDM4EPKM
SCHEMBL4637075 0.85 DRD2 (0.51) PTPN11ALDH1A1DRD2DRD4TSHR
SCHEMBL5658108 0.85 MAPT (0.57) PTPN11ALDH1A1MAPTKDM4EPKM
SCHEMBL5656189 0.84 MAPT (0.56) PTPN11ALDH1A1MAPTTP53DRD2
SCHEMBL5657324 0.84 TSHR (0.52) PTPN11ALDH1A1MAPTTP53DRD2

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 PTPN11 1850/4885ALDH1A1 1411/4885MAPT 4755/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 PTPN11 2904/4885ALDH1A1 1137/4885MAPT 4859/4885

“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.