SCHEMBL5657096

SCHEMBL5657096

O=C(CCCCN1CCN(c2ccccc2F)CC1)N1CCc2ccccc2C1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.72
DRD2 P14416 9/20 0.72
CACNA1G O43497 2/20 0.63
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
TSHR P16473 1/20 0.60
KMT2A Q03164 1/20 0.60
HTR7 P34969 5/20 0.58
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 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
SCHEMBL5659469 0.97 HTR1A (0.67) HTR1ADRD2CACNA1GMEN1LMNA
SCHEMBL5654643 0.89 HTR1A (0.66) HTR1ADRD2CACNA1GLMNAMAPT
SCHEMBL5656689 0.85 MAPT (0.62) HTR1ADRD2CACNA1GMEN1LMNA
SCHEMBL5655720 0.84 HTR1A (0.69) HTR1ADRD2CACNA1GLMNAMAPT
SCHEMBL4636850 0.84 HTR1A (0.69) HTR1ADRD2MEN1KMT2AHTR7
SCHEMBL5659051 0.83 HTR1A (0.57) HTR1ADRD2MEN1LMNAMAPT
SCHEMBL5657814 0.82 MAPT (0.64) HTR1ADRD2CACNA1GMEN1LMNA
SCHEMBL5658350 0.81 HTR7 (0.64) HTR1ADRD2LMNAMAPTHTR7
SCHEMBL4636812 0.81 HTR1A (0.65) HTR1ADRD2HTR7
SCHEMBL5658140 0.79 PTPN11 (0.55) HTR1ADRD2CACNA1GMEN1LMNA

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 5 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

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 331/4885DRD2 27/4885CACNA1G 1435/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 HTR1A 81/4885DRD2 3/4885CACNA1G 766/4885

“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.