SCHEMBL3789688

SCHEMBL3789688

O=C(O)CCN1CCC(=C2c3cc(CCN4CCCCC4)ccc3OCc3ccsc32)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.38
KCNJ1 P48048 3/20 0.38
DRD2 P14416 5/20 0.34
HTR1A P08908 5/20 0.34
HTR2A P28223 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
MAOB P27338 1/20 0.34
DRD3 P35462 2/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A4 P31645 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL3044370 0.89 HRH1 (0.40) DRD2DRD3HRH1
Hydrochloric Acid SCHEMBL3039117 0.87 KCNH2 (0.37) KCNH2KCNJ1DRD2HTR1AHTR2A
SCHEMBL3046173 0.87 HRH1 (0.41) DRD2DRD3HRH1
Hydrochloric Acid SCHEMBL3040610 0.86 HRH1 (0.40) DRD2DRD3HRH1
SCHEMBL3049190 0.86 HRH1 (0.41) KCNH2DRD2HTR1AHTR2ADRD3
SCHEMBL3040347 0.85 DRD3 (0.36) KCNH2DRD2HTR2ADRD3HRH1
SCHEMBL3047749 0.84 HRH1 (0.41) KCNH2DRD2HTR2ADRD3HRH1
SCHEMBL3047419 0.84 CHRM5 (0.40) KCNH2DRD2HTR2ADRD3MAPT
Hydrochloric Acid SCHEMBL3040320 0.83 HRH1 (0.40) KCNH2DRD2HTR2ADRD3HRH1
SCHEMBL3044716 0.83 TP53 (0.36) KCNH2DRD2HTR2ADRD3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377967-B2 Piperidine derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2013-02-19 US disclosed
US-20100331365-A1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-12-30 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 (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-20100331365-A1 PIPERIDINE DERIVATIVE HRH4, HRH3, HRH2 KCNH2 528/4885KCNJ1 605/4885DRD2 34/4885

“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.