SCHEMBL5657025

SCHEMBL5657025

O=C(CCCCN1CCN(c2cccc(Cl)c2)CC1)N1CCc2cc(F)ccc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 8/20 0.57
KCNH2 Q12809 1/20 0.55
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
ADRB2 P07550 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
HTR1A P08908 4/20 0.52
HTR7 P34969 4/20 0.52
CACNA1G O43497 1/20 0.51
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
HTR6 P50406 1/20 0.50

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 0.93 HTR1A (0.60) PTPN11MAPTALDH1A1ADRB2GAA
SCHEMBL5655898 0.88 DRD2 (0.61) PTPN11KCNH2MAPTHTR1AHTR7
SCHEMBL5654212 0.86 DRD2 (0.55) HTR1AHTR7DRD2HTR2A
SCHEMBL5657775 0.85 DRD2 (0.62) PTPN11KCNH2MAPTTSHRHTR1A
SCHEMBL5657324 0.83 TSHR (0.52) PTPN11MAPTALDH1A1TSHRHTR1A
SCHEMBL5658140 0.83 PTPN11 (0.55) PTPN11MAPTALDH1A1TSHRHTR1A
SCHEMBL5654785 0.83 DRD2 (0.54) HTR1AHTR7DRD2HTR2A
SCHEMBL5655729 0.81 PTPN11 (0.58) PTPN11MAPTALDH1A1ADRB2GAA
SCHEMBL5656819 0.81 DRD2 (0.67) PTPN11KCNH2MAPTALDH1A1ADRB2
SCHEMBL5654257 0.80 PTPN11 (0.56) PTPN11MAPTALDH1A1TSHRHTT

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 1850/4885KCNH2 285/4885MAPT 4755/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 PTPN11 2904/4885KCNH2 333/4885MAPT 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.