SCHEMBL5658140

SCHEMBL5658140

O=C(CCCCN1CCN(c2ccccc2F)CC1)N1CCc2cc(F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.55
MAPT P10636 3/20 0.54
CACNA1G O43497 3/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
HTR1A P08908 5/20 0.52
TP53 P04637 1/20 0.52
HTR7 P34969 1/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
DRD2 P14416 6/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DRD3 P35462 2/20 0.49
ADRA1A P35348 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
DRD4 P21917 1/20 0.47

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 0.97 PTPN11 (0.56) PTPN11MAPTCACNA1GALDH1A1KDM4E
SCHEMBL5656889 0.93 PTPN11 (0.58) PTPN11MAPTALDH1A1KDM4EPKM
SCHEMBL5656189 0.92 MAPT (0.56) PTPN11MAPTCACNA1GALDH1A1HTR1A
SCHEMBL5656689 0.91 MAPT (0.62) PTPN11MAPTCACNA1GALDH1A1HTR1A
SCHEMBL5658108 0.89 MAPT (0.57) PTPN11MAPTALDH1A1KDM4EPKM
SCHEMBL5657324 0.88 TSHR (0.52) PTPN11MAPTCACNA1GALDH1A1HTR1A
SCHEMBL5657814 0.87 MAPT (0.64) PTPN11MAPTCACNA1GALDH1A1KDM4E
SCHEMBL5654212 0.86 DRD2 (0.55) HTR1AHTR7KMT2AMEN1DRD2
SCHEMBL5655876 0.85 NOTUM (0.52) PTPN11MAPTALDH1A1KDM4EPKM
SCHEMBL5656856 0.84 DRD2 (0.57) PTPN11MAPTALDH1A1KDM4EPKM

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 8 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

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 1850/4885MAPT 4755/4885CACNA1G 1435/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 PTPN11 2904/4885MAPT 4859/4885CACNA1G 766/4885

“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.