SCHEMBL5656189

SCHEMBL5656189

O=C(CCCCN1CCN(c2ccc(F)cc2F)CC1)N1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
TSHR P16473 2/20 0.52
ADRA1B P35368 1/20 0.52
DRD2 P14416 6/20 0.51
HTR1A P08908 6/20 0.51
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CACNA1G O43497 2/20 0.49
DRD4 P21917 1/20 0.49
PTPN11 Q06124 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48

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 0.97 MAPT (0.57) MAPTKMT2AMEN1TSHRADRA1B
SCHEMBL5656856 0.93 DRD2 (0.57) MAPTKMT2AMEN1TSHRADRA1B
SCHEMBL5658140 0.92 PTPN11 (0.55) MAPTKMT2AMEN1TSHRDRD2
SCHEMBL5656689 0.91 MAPT (0.62) MAPTKMT2AMEN1TSHRDRD2
SCHEMBL5654257 0.89 PTPN11 (0.56) MAPTKMT2AMEN1TSHRDRD2
SCHEMBL5657814 0.87 MAPT (0.64) MAPTKMT2AMEN1TSHRDRD2
SCHEMBL5654643 0.86 HTR1A (0.66) MAPTADRA1BDRD2HTR1ANPC1
SCHEMBL5655876 0.85 NOTUM (0.52) MAPTKMT2ATSHRADRA1BDRD2
SCHEMBL5656889 0.84 PTPN11 (0.58) MAPTKMT2AMEN1TSHRDRD2
SCHEMBL5657324 0.84 TSHR (0.52) MAPTKMT2AMEN1TSHRDRD2

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 MAPT 4755/4885KMT2A 2949/4885MEN1 4851/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 MAPT 4859/4885KMT2A 1799/4885MEN1 4707/4885

“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.