SCHEMBL5654785

SCHEMBL5654785

O=C(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)N1CCc2cc(F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.54
DRD3 P35462 9/20 0.54
HTR1A P08908 9/20 0.54
DRD4 P21917 7/20 0.54
ADRA1D P25100 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
HTR2C P28335 1/20 0.51
HTR2A P28223 4/20 0.50
HTR7 P34969 3/20 0.49

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
SCHEMBL5654212 0.97 DRD2 (0.55) DRD2DRD3HTR1ADRD4ADRA1D
SCHEMBL4637075 0.94 DRD2 (0.51) DRD2DRD3HTR1ADRD4ADRA1D
SCHEMBL5657324 0.93 TSHR (0.52) DRD2DRD3HTR1ADRD4ADRA1A
SCHEMBL5654681 0.88 DRD2 (0.61) DRD2DRD3HTR1ADRD4HTR2C
SCHEMBL5657822 0.87 DRD2 (0.56) DRD2HTR1ADRD4HTR7
SCHEMBL5654257 0.86 PTPN11 (0.56) DRD2DRD3HTR1AADRA1AHTR7
SCHEMBL5655777 0.85 HTR1A (0.62) DRD2DRD3HTR1ADRD4HTR2C
SCHEMBL5658140 0.83 PTPN11 (0.55) DRD2DRD3HTR1ADRD4ADRA1A
SCHEMBL5657025 0.83 PTPN11 (0.57) DRD2HTR1AHTR2AHTR7
SCHEMBL5658108 0.82 MAPT (0.57) DRD2DRD3HTR1ADRD4ADRA1B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074796-B2 4-phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2006-07-11 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 DRD2 27/4885DRD3 22/4885HTR1A 331/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 DRD2 3/4885DRD3 2/4885HTR1A 81/4885

“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.