SCHEMBL5657822

SCHEMBL5657822

O=C(CCN1CCN(c2ccccc2Cl)CC1)N1CCc2cc(F)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
ALDH1A1 P00352 4/20 0.53
TSHR P16473 3/20 0.53
USP2 O75604 1/20 0.53
HTR7 P34969 1/20 0.53
HTR1A P08908 2/20 0.52
PTPN11 Q06124 3/20 0.50
NOTUM Q6P988 1/20 0.48
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PTPN7 P35236 1/20 0.46
MCHR1 Q99705 1/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL5657324 0.94 TSHR (0.52) DRD2DRD4ALDH1A1TSHRUSP2
SCHEMBL4637075 0.93 DRD2 (0.51) DRD2DRD4ALDH1A1TSHRUSP2
SCHEMBL5656889 0.90 PTPN11 (0.58) DRD2DRD4ALDH1A1TSHRPTPN11
SCHEMBL5655891 0.88 DRD2 (0.71) DRD2DRD4ALDH1A1TSHRHTR7
SCHEMBL5654785 0.87 DRD2 (0.54) DRD2DRD4HTR7HTR1A
SCHEMBL5655876 0.87 NOTUM (0.52) DRD2DRD4ALDH1A1TSHRHTR1A
SCHEMBL5654212 0.86 DRD2 (0.55) DRD2DRD4HTR7HTR1AKMT2A
SCHEMBL5656856 0.86 DRD2 (0.57) DRD2DRD4ALDH1A1TSHRPTPN11
SCHEMBL5655729 0.85 PTPN11 (0.58) DRD2DRD4ALDH1A1TSHRHTR7
SCHEMBL5657836 0.85 HTR1A (0.60) DRD2DRD4ALDH1A1TSHRHTR7

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 DRD2 27/4885DRD4 10/4885ALDH1A1 1411/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 DRD2 3/4885DRD4 10/4885ALDH1A1 1137/4885

“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.