SCHEMBL4637265

SCHEMBL4637265

CS(=O)(=O)OCCCCC1CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
BCHE P06276 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL9467374 0.86 KDM4E (0.43) MTNR1AMTNR1BKDM4EUSP2ALDH1A1
SCHEMBL9722210 0.82 MTNR1A (0.40) MTNR1AMTNR1BKDM4EUSP2ALDH1A1
SCHEMBL6978852 0.81 CA2 (0.45) MTNR1AMTNR1BBCHEMAOAMAOB
SCHEMBL14143008 0.81 CA2 (0.45) MTNR1AMTNR1BBCHEMAOAMAOB
SCHEMBL11845112 0.79 HTR2A (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL22996229 0.78 BCHE (0.46) MTNR1AMTNR1BBCHESIGMAR1HTR6
SCHEMBL22932054 0.77 BCHE (0.44) MTNR1AMTNR1BBCHESIGMAR1HTR6
SCHEMBL18616383 0.77 SIGMAR1 (0.48) MTNR1AMTNR1BBCHESIGMAR1HTR6
SCHEMBL22400051 0.77 BCHE (0.45) MTNR1AMTNR1BBCHESIGMAR1HTR6
SCHEMBL6758153 0.76 BCHE (0.59) MTNR1AMTNR1BBCHESIGMAR1HTR6

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464641-B1 4-Phenyl-piperazinyl, -piperidinyl and tetrahydropyridyl derivatives as dopamine D4 antagonists LUNDBECK & CO AS H (DK) 2008-05-14 EP disclosed
US-7223765-B2 4-phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2007-05-29 US disclosed
CN-1803784-A 4-phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives LUNDBECK CO AS H (DK) 2006-07-19 CN 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
CN-1244577-C 4-phenyl-1-piperazinyl, -piperidinyl and-tetrahydropyridinyl derivatives LUNDBECK & CO AS H (DK) 2006-03-08 CN 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
CN-1434819-A 4-phenyl-1-piperazinyl, -piperidinyl and-tetrahydropyridinyl derivatives LUNDBECK & CO AS H (DK) 2003-08-06 CN 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 MTNR1A 60/4885MTNR1B 108/4885BCHE 3993/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 MTNR1A 133/4885MTNR1B 404/4885BCHE 3739/4885

“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.