SCHEMBL5658383

SCHEMBL5658383

O=C(CCCCN1CCN(c2cccc(Cl)c2)CC1)N1CCc2ccccc2C1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.67
HTR7 P34969 8/20 0.67
DRD2 P14416 4/20 0.61
KCNH2 Q12809 1/20 0.60
CACNA1G O43497 2/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL5655873 0.94 HTR1A (0.72) HTR1AHTR7DRD2KCNH2MEN1
SCHEMBL5659607 0.88 HTR1A (0.60) HTR1AHTR7DRD2CACNA1GSMN1; SMN2
SCHEMBL5655898 0.84 DRD2 (0.61) HTR1AHTR7DRD2KCNH2CACNA1G
SCHEMBL4636850 0.82 HTR1A (0.69) HTR1AHTR7DRD2MEN1KMT2A
SCHEMBL5657585 0.82 HTR1A (0.55) HTR1AHTR7DRD2CACNA1GSMN1; SMN2
SCHEMBL4684303 0.81 HTR1A (0.62) HTR1AHTR7DRD2KCNH2CACNA1G
SCHEMBL5657775 0.81 DRD2 (0.62) HTR1AHTR7DRD2KCNH2CACNA1G
SCHEMBL8267294 0.81 HTR1A (0.61) HTR1AHTR7DRD2CACNA1G
SCHEMBL5655720 0.80 HTR1A (0.69) HTR1AHTR7DRD2CACNA1GALDH1A1
SCHEMBL4684256 0.80 HTR1A (0.58) HTR1AHTR7DRD2CACNA1G

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 7 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 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 HTR1A 331/4885HTR7 217/4885DRD2 27/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 HTR1A 81/4885HTR7 32/4885DRD2 3/4885

“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.