SCHEMBL6709334

SCHEMBL6709334

NCCCCN1CCC(Oc2cccc3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.56
TDP1 Q9NUW8 1/20 0.53
HTR2A P28223 2/20 0.51
HTR7 P34969 2/20 0.51
HTR6 P50406 2/20 0.51
DRD4 P21917 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC6A4 P31645 1/20 0.49
HTR1B P28222 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.46
CHRM3 P20309 4/20 0.46

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
SCHEMBL3111720 0.84 HRH3 (0.50) HRH3TDP1HTR2AHTR7HTR6
SCHEMBL6707980 0.82 DRD2 (0.56) HRH3TDP1HTR2AHTR7HTR6
SCHEMBL11066008 0.78 NOS3 (0.51) HRH3HTR2ADRD4MEN1KMT2A
SCHEMBL6710735 0.77 SLC6A4 (0.68) HRH3MEN1KMT2ASLC6A4HTR1B
SCHEMBL6708061 0.77 SMN1; SMN2 (0.61) HRH3DRD4MEN1KMT2ADRD2
SCHEMBL11065888 0.77 DRD2 (0.48) HRH3HTR2ADRD4SLC6A4DRD2
Hydrochloric Acid SCHEMBL11073301 0.76 SMN1; SMN2 (0.63) HRH3DRD4MEN1KMT2ADRD2
SCHEMBL11068915 0.76 DRD2 (0.60) HRH3HTR2ADRD4MEN1KMT2A
Hydrochloric Acid SCHEMBL11066446 0.76 DRD2 (0.59) HRH3HTR2ADRD4MEN1KMT2A
SCHEMBL16902862 0.75 MEN1 (0.51) TDP1DRD4MEN1KMT2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 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 (1 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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 HRH3 1492/4885TDP1 4754/4885HTR2A 526/4885

“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.