SCHEMBL3044716

SCHEMBL3044716

CCN1CCC(=C2c3cc(CCCC(=O)O)ccc3OCc3ccsc32)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
THRB P10828 1/20 0.36
KCNH2 Q12809 1/20 0.36
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
DRD2 P14416 2/20 0.33
HRH1 P35367 2/20 0.33
DRD3 P35462 2/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL3047419 0.92 CHRM5 (0.40) KCNH2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3040347 0.91 DRD3 (0.36) KCNH2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL3050317 0.91 GLA (0.36) TP53GLATHRBKCNH2CHRM4
SCHEMBL3152183 0.89 CHRM5 (0.40) KCNH2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3039108 0.89 HRH1 (0.42) KCNH2HRH1LMNA
Hydrochloric Acid SCHEMBL3043646 0.88 HRH1 (0.41) KCNH2HRH1LMNA
SCHEMBL3030704 0.88 KCNH2 (0.35) KCNH2DRD2HRH1DRD3
SCHEMBL3049190 0.86 HRH1 (0.41) KCNH2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL3030796 0.85 HRH1 (0.37) HRH1
SCHEMBL3789688 0.83 KCNH2 (0.38) KCNH2DRD2HRH1DRD3HTR2A

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 4 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
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 TP53 4621/4885GLA 4881/4885THRB 2604/4885

“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.