SCHEMBL5655873

SCHEMBL5655873

O=C(CCN1CCN(c2cccc(Cl)c2)CC1)N1CCc2ccccc2C1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.72
HTR7 P34969 8/20 0.72
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.53
KCNH2 Q12809 1/20 0.53
DRD2 P14416 1/20 0.53

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
SCHEMBL5658383 0.94 HTR1A (0.67) HTR1AHTR7MEN1KMT2ASMN1; SMN2
SCHEMBL5657585 0.88 HTR1A (0.55) HTR1AHTR7SMN1; SMN2HPGDDRD2
SCHEMBL5658350 0.83 HTR7 (0.64) HTR1AHTR7ALDH1A1HPGDDRD2
SCHEMBL5656819 0.82 DRD2 (0.67) HTR1AHTR7MEN1KMT2AALDH1A1
SCHEMBL5659607 0.82 HTR1A (0.60) HTR1AHTR7SMN1; SMN2HPGDDRD2
SCHEMBL4636681 0.81 HTR1A (0.60) HTR1AHTR7DRD2
SCHEMBL22784699 0.81 HDAC3 (0.60) HTR1AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6580645 0.79 HTR1A (0.49) HTR1AHTR7ALDH1A1HPGDDRD2
SCHEMBL5657775 0.78 DRD2 (0.62) HTR1AHTR7MEN1KMT2ATSHR
SCHEMBL5655898 0.78 DRD2 (0.61) HTR1AHTR7MEN1KMT2AKCNH2

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 217/4885MEN1 4851/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 HTR1A 81/4885HTR7 32/4885MEN1 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.