SCHEMBL5655729

SCHEMBL5655729

O=C(CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCc2cc(F)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 9/20 0.58
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
PTPN7 P35236 1/20 0.52
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
NOTUM Q6P988 1/20 0.46
DRD3 P35462 1/20 0.45
HTR7 P34969 3/20 0.44
HTR1A P08908 2/20 0.44
ADRB2 P07550 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL5657836 0.88 HTR1A (0.60) PTPN11ALDH1A1DRD2DRD4MAPT
SCHEMBL5657591 0.86 DRD2 (0.63) PTPN11ALDH1A1POLBDRD2DRD4
SCHEMBL5657822 0.85 DRD2 (0.56) PTPN11ALDH1A1KDM4EPOLBPTPN7
SCHEMBL4637075 0.83 DRD2 (0.51) PTPN11ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL5655876 0.83 NOTUM (0.52) PTPN11ALDH1A1KDM4EPOLBPTPN7
SCHEMBL5657025 0.81 PTPN11 (0.57) PTPN11ALDH1A1DRD2MAPTHTR7
SCHEMBL5655640 0.80 DRD2 (0.62) PTPN11ALDH1A1POLBSLC6A4DRD2
SCHEMBL5656889 0.80 PTPN11 (0.58) PTPN11ALDH1A1KDM4EPOLBDRD2
SCHEMBL5657324 0.80 TSHR (0.52) PTPN11ALDH1A1POLBDRD2DRD4
SCHEMBL5654785 0.77 DRD2 (0.54) DRD2DRD4DRD3HTR7HTR1A

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 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
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2003-02-06 US 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 1411/4885KDM4E 1483/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 PTPN11 2904/4885ALDH1A1 1137/4885KDM4E 1104/4885

“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.