SCHEMBL5655876

SCHEMBL5655876

O=C(CCN1CCN(c2ccc(F)cc2F)CC1)N1CCc2cc(F)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
ADRA1B P35368 3/20 0.49
PTPN11 Q06124 3/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
PTPN7 P35236 1/20 0.47
MAPT P10636 2/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
HTR1A P08908 1/20 0.46
TP53 P04637 1/20 0.45
CNR2 P34972 1/20 0.45
PIK3CD O00329 2/20 0.43
CYP3A4 P08684 2/20 0.43
PIK3CA P42336 2/20 0.43

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
SCHEMBL5656889 0.92 PTPN11 (0.58) NOTUMPTPN11ALDH1A1KDM4EPOLB
SCHEMBL5656856 0.92 DRD2 (0.57) NOTUMADRA1BPTPN11ALDH1A1KDM4E
SCHEMBL5657822 0.87 DRD2 (0.56) NOTUMPTPN11ALDH1A1KDM4EPOLB
SCHEMBL5658108 0.86 MAPT (0.57) NOTUMADRA1BPTPN11ALDH1A1KDM4E
SCHEMBL5654257 0.86 PTPN11 (0.56) NOTUMPTPN11ALDH1A1KDM4EMAPT
SCHEMBL5658140 0.85 PTPN11 (0.55) PTPN11ALDH1A1KDM4EMAPTPKM
SCHEMBL5656189 0.85 MAPT (0.56) NOTUMADRA1BPTPN11ALDH1A1POLB
SCHEMBL4637075 0.84 DRD2 (0.51) ADRA1BPTPN11ALDH1A1DRD2DRD4
SCHEMBL5655729 0.83 PTPN11 (0.58) NOTUMPTPN11ALDH1A1KDM4EPOLB
SCHEMBL5657836 0.83 HTR1A (0.60) PTPN11ALDH1A1MAPTDRD2DRD4

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-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
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 NOTUM 3814/4885ADRA1B 344/4885PTPN11 1850/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 NOTUM 2859/4885ADRA1B 304/4885PTPN11 2904/4885

“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.