SCHEMBL3047871

SCHEMBL3047871

CN1CCC(=C2c3cc(SCC(=O)O)ccc3OCc3ccsc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.39
LMNA P02545 3/20 0.39
CHRM2 P08172 3/20 0.39
ADRA2A P08913 3/20 0.39
CHRM1 P11229 3/20 0.39
ADRA2B P18089 3/20 0.39
DRD1 P21728 3/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HRH1 P35367 3/20 0.39
DRD3 P35462 3/20 0.39
HTR3A P46098 3/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM3 P20309 2/20 0.39
HTR6 P50406 2/20 0.39
DRD2 P14416 2/20 0.39
HTR7 P34969 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
DRD5 P21918 1/20 0.39

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
Hydrochloric Acid SCHEMBL3042891 0.99 DRD1 (0.38) MAPK1LMNACHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL3030554 0.87 HRH1 (0.36) LMNAHRH1HRH4HTTNOTUM
Hydrochloric Acid SCHEMBL14693626 0.85 LMNA (0.38) MAPK1LMNACHRM2ADRA2ACHRM1
SCHEMBL3046843 0.84 LMNA (0.38) MAPK1LMNACHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL3047924 0.83 LMNA (0.38) MAPK1LMNACHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL3030453 0.83 HRH1 (0.43) MAPK1LMNACHRM2ADRA2ACHRM1
SCHEMBL3049190 0.82 HRH1 (0.41) MAPK1LMNACHRM2ADRA2ACHRM1
SCHEMBL3037204 0.81 KDM4E (0.39) MAPK1LMNACHRM2ADRA2ACHRM1
SCHEMBL3037211 0.81 ALDH1A1 (0.36) MAPK1CYP1A2MEN1KMT2AMAPT
SCHEMBL3047419 0.80 CHRM5 (0.40) MAPK1LMNACHRM2ADRA2ACHRM1

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 MAPK1 3605/4885LMNA 4870/4885CHRM2 180/4885

“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.