SCHEMBL5657836

SCHEMBL5657836

O=C(CCN1CCN(c2cccc(Cl)c2)CC1)N1CCc2cc(F)ccc21

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.60
HTR7 P34969 5/20 0.60
PTPN11 Q06124 10/20 0.57
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
ADRB2 P07550 1/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52

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
SCHEMBL5657025 0.93 PTPN11 (0.57) HTR1AHTR7PTPN11MAPTALDH1A1
SCHEMBL5655729 0.88 PTPN11 (0.58) HTR1AHTR7PTPN11MAPTALDH1A1
SCHEMBL5656819 0.87 DRD2 (0.67) HTR1AHTR7PTPN11MAPTALDH1A1
SCHEMBL5657822 0.85 DRD2 (0.56) HTR1AHTR7PTPN11MAPTALDH1A1
SCHEMBL4637075 0.85 DRD2 (0.51) HTR1APTPN11ALDH1A1TSHRDRD2
SCHEMBL5655876 0.83 NOTUM (0.52) HTR1APTPN11MAPTALDH1A1TSHR
SCHEMBL5656889 0.82 PTPN11 (0.58) PTPN11MAPTALDH1A1TSHRHTT
SCHEMBL5657775 0.81 DRD2 (0.62) HTR1AHTR7PTPN11MAPTTSHR
SCHEMBL5655898 0.80 DRD2 (0.61) HTR1AHTR7PTPN11MAPTDRD2
SCHEMBL5880306 0.80 PTPN11 (0.56) PTPN11MAPTALDH1A1ADRB2GAA

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 HTR1A 331/4885HTR7 217/4885PTPN11 1850/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 HTR1A 81/4885HTR7 32/4885PTPN11 2904/4885

“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.