SCHEMBL3040347

SCHEMBL3040347

CC(=O)CCCN1CCC(=C2c3cc(CCCC(=O)O)ccc3OCc3ccsc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.36
DRD2 P14416 2/20 0.36
S1PR5 Q9H228 4/20 0.36
HRH1 P35367 4/20 0.36
KCNH2 Q12809 2/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL3041334 0.92 HRH1 (0.40) DRD3DRD2HRH1LMNA
SCHEMBL3047419 0.91 CHRM5 (0.40) DRD3DRD2HRH1KCNH2LMNA
Hydrochloric Acid SCHEMBL3041205 0.91 DRD3 (0.35) DRD3DRD2HRH1KCNH2
Hydrochloric Acid SCHEMBL3041326 0.91 HRH1 (0.39) DRD3DRD2HRH1LMNA
SCHEMBL3044716 0.91 TP53 (0.36) DRD3DRD2HRH1KCNH2LMNA
SCHEMBL3152183 0.89 CHRM5 (0.40) DRD3DRD2HRH1KCNH2LMNA
SCHEMBL3047749 0.86 HRH1 (0.41) DRD3DRD2HRH1KCNH2LMNA
SCHEMBL3049190 0.86 HRH1 (0.41) DRD3DRD2HRH1KCNH2LMNA
Hydrochloric Acid SCHEMBL3040320 0.85 HRH1 (0.40) DRD3DRD2HRH1KCNH2LMNA
SCHEMBL3030704 0.85 KCNH2 (0.35) DRD3DRD2HRH1KCNH2

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-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
EP-2243778-A1 PIPERIDINE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2010-10-27 EP 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 DRD3 88/4885DRD2 34/4885S1PR5 33/4885

“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.