SCHEMBL5656186

SCHEMBL5656186

Fc1ccc2[nH]cc(CCCN3CCN(c4cccc(Cl)c4Cl)CC3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.70
HTR7 P34969 10/20 0.70
KCNH2 Q12809 6/20 0.69
SLC6A4 P31645 4/20 0.69
MPO P05164 3/20 0.68
DRD2 P14416 1/20 0.68
ADRA1A P35348 1/20 0.67
HTR6 P50406 2/20 0.63

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
SCHEMBL5656361 0.97 HTR1A (0.66) HTR1AHTR7KCNH2SLC6A4MPO
SCHEMBL5654695 0.86 DRD2 (0.76) HTR1AHTR7DRD2HTR6
SCHEMBL5657020 0.84 DRD2 (0.70) HTR1AHTR7KCNH2DRD2HTR6
SCHEMBL5654616 0.83 DRD2 (0.74) HTR1AHTR7DRD2HTR6
SCHEMBL8261716 0.82 HTR1A (0.68) HTR1AHTR7KCNH2SLC6A4MPO
SCHEMBL6580604 0.82 DRD2 (0.70) HTR1AHTR7KCNH2SLC6A4MPO
SCHEMBL9213108 0.81 HTR1A (0.69) HTR1AHTR7KCNH2SLC6A4MPO
SCHEMBL6589839 0.81 HTR1A (0.80) HTR1AHTR7KCNH2SLC6A4MPO
SCHEMBL3923281 0.81 DRD2 (1.00) HTR1AHTR7KCNH2SLC6A4DRD2
SCHEMBL9368593 0.80 HTR1A (0.92) HTR1AHTR7KCNH2SLC6A4MPO

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 HTR1A 331/4885HTR7 217/4885KCNH2 285/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 HTR1A 81/4885HTR7 32/4885KCNH2 333/4885

“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.