SCHEMBL3784455

SCHEMBL3784455

CN1CCC(=C2c3ccccc3CCc3sc(NC(=O)OC(C)(C)C)cc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.52
CHRM1 P11229 5/20 0.52
DRD2 P14416 4/20 0.52
HTR2A P28223 4/20 0.52
HTR2C P28335 4/20 0.52
HRH1 P35367 4/20 0.52
ADRA2A P08913 4/20 0.52
DRD1 P21728 4/20 0.52
DRD3 P35462 4/20 0.52
ADRA1A P35348 4/20 0.52
KCNH2 Q12809 4/20 0.52
LMNA P02545 3/20 0.52
ADRA2B P18089 3/20 0.52
HTR3A P46098 3/20 0.52
OPRK1 P41145 3/20 0.52
HTR2B P41595 3/20 0.52
HTR1A P08908 3/20 0.52
ADRA2C P18825 2/20 0.52
CNR1 P21554 2/20 0.52
ADRA1D P25100 2/20 0.52

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
SCHEMBL3788798 0.87 SETD7 (0.47) CHRM2CHRM1DRD2HTR2AHTR2C
SCHEMBL3134006 0.86 CYP2D6 (0.49) CHRM2CHRM1DRD2HTR2AHTR2C
SCHEMBL3044516 0.86 CYP2D6 (0.49) CHRM2CHRM1DRD2HTR2AHTR2C
SCHEMBL3046754 0.86 SETD7 (0.56) CHRM2CHRM1DRD2HTR2AHTR2C
SCHEMBL3050405 0.85 SETD7 (0.54) CHRM2CHRM1DRD2HTR2AHTR2C
SCHEMBL3039105 0.76 MAPK1 (0.56) CHRM2CHRM1DRD2HTR2AHTR2C
SCHEMBL3046215 0.76 SETD7 (0.57) CHRM2CHRM1DRD2HTR2AHTR2C
SCHEMBL3046177 0.76 MAPK1 (0.60) CHRM2CHRM1DRD2HTR2AHTR2C
SCHEMBL3030543 0.75 KDM4E (0.57) CHRM2CHRM1DRD2HTR2AHTR2C
SCHEMBL3044854 0.75 SETD7 (0.58) CHRM2CHRM1DRD2HTR2AHTR2C

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
EP-2243778-B1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2014-10-29 EP disclosed
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 CHRM2 180/4885CHRM1 205/4885DRD2 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.