SCHEMBL5656856

SCHEMBL5656856

O=C(CCN1CCN(c2ccc(F)cc2F)CC1)N1CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57
TSHR P16473 3/20 0.55
ALDH1A1 P00352 3/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 4/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
NOTUM Q6P988 2/20 0.51
PTPN11 Q06124 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
GAA P10253 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 2/20 0.48
NFKB1 P19838 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
SCHEMBL5658108 0.94 MAPT (0.57) DRD2DRD4TSHRALDH1A1POLB
SCHEMBL5656189 0.93 MAPT (0.56) DRD2DRD4TSHRALDH1A1POLB
SCHEMBL5655876 0.92 NOTUM (0.52) DRD2DRD4TSHRALDH1A1POLB
SCHEMBL5656889 0.91 PTPN11 (0.58) DRD2DRD4TSHRALDH1A1POLB
SCHEMBL5654154 0.90 DRD2 (0.63) DRD2DRD4TSHRALDH1A1POLB
SCHEMBL5657822 0.86 DRD2 (0.56) DRD2DRD4TSHRALDH1A1POLB
SCHEMBL5654257 0.85 PTPN11 (0.56) DRD2TSHRALDH1A1MAPTKMT2A
SCHEMBL5658140 0.84 PTPN11 (0.55) DRD2DRD4TSHRALDH1A1MAPT
SCHEMBL5659051 0.84 HTR1A (0.57) DRD2TSHRALDH1A1MAPTKMT2A
SCHEMBL5657814 0.83 MAPT (0.64) 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 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 10/4885TSHR 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.