SCHEMBL5654643

SCHEMBL5654643

O=C(CCCCN1CCN(c2ccc(F)cc2F)CC1)N1CCc2ccccc2C1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.66
DRD2 P14416 8/20 0.66
HTR7 P34969 4/20 0.53
ADRA1B P35368 1/20 0.52
CACNA1G O43497 2/20 0.52
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL5659051 0.94 HTR1A (0.57) HTR1ADRD2ADRA1BHDAC3HDAC1
SCHEMBL5657096 0.89 HTR1A (0.72) HTR1ADRD2HTR7CACNA1GHDAC3
SCHEMBL5659469 0.86 HTR1A (0.67) HTR1ADRD2HTR7CACNA1GHDAC3
SCHEMBL5656189 0.86 MAPT (0.56) HTR1ADRD2HTR7ADRA1BCACNA1G
SCHEMBL5658108 0.82 MAPT (0.57) HTR1ADRD2ADRA1BNPC1RAB9A
SCHEMBL5658140 0.80 PTPN11 (0.55) HTR1ADRD2HTR7CACNA1GALDH1A1
SCHEMBL5655720 0.78 HTR1A (0.69) HTR1ADRD2HTR7CACNA1GHDAC3
SCHEMBL4636850 0.78 HTR1A (0.69) HTR1ADRD2HTR7
SCHEMBL5656856 0.78 DRD2 (0.57) DRD2ADRA1BNPC1RAB9AALDH1A1
SCHEMBL5658383 0.77 HTR1A (0.67) HTR1ADRD2HTR7CACNA1GALDH1A1

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 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
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 331/4885DRD2 27/4885HTR7 217/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 HTR1A 81/4885DRD2 3/4885HTR7 32/4885

“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.