SCHEMBL5657246

SCHEMBL5657246

O=C(CCN1CCN(c2cccc(Cl)c2Cl)CC1)N1CCc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.65
DRD4 P21917 2/20 0.65
TSHR P16473 2/20 0.58
DRD3 P35462 7/20 0.58
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 1/20 0.55
DRD1 P21728 2/20 0.55
HTR2A P28223 1/20 0.54
NOTUM Q6P988 1/20 0.53
HTR7 P34969 2/20 0.53
HTR1A P08908 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 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
SCHEMBL5654681 0.93 DRD2 (0.61) DRD2DRD4TSHRDRD3KMT2A
SCHEMBL5655891 0.93 DRD2 (0.71) DRD2DRD4TSHRDRD3ALDH1A1
SCHEMBL5655777 0.92 HTR1A (0.62) DRD2DRD4TSHRDRD3KMT2A
SCHEMBL4637075 0.87 DRD2 (0.51) DRD2DRD4TSHRDRD3ALDH1A1
SCHEMBL5654699 0.86 KMT2A (0.65) DRD2DRD4TSHRDRD3ALDH1A1
SCHEMBL5657064 0.85 MAPT (0.64) DRD2DRD4TSHRDRD3ALDH1A1
Oxalic Acid SCHEMBL31256033 0.84 DRD3 (0.67) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL4636681 0.84 HTR1A (0.60) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL5656819 0.83 DRD2 (0.67) DRD2DRD4TSHRDRD3ALDH1A1
SCHEMBL5654154 0.82 DRD2 (0.63) DRD2DRD4TSHRALDH1A1POLB

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 27/4885DRD4 10/4885TSHR 114/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 DRD2 3/4885DRD4 10/4885TSHR 1103/4885

“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.