SCHEMBL3047749

SCHEMBL3047749

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
LMNA P02545 2/20 0.39
TBXA2R P21731 2/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37

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 SCHEMBL3040320 0.99 HRH1 (0.40) HRH1ADRA1DADRA1AADRA1BLMNA
SCHEMBL3041334 0.95 HRH1 (0.40) HRH1ADRA1DADRA1AADRA1BLMNA
SCHEMBL3044370 0.95 HRH1 (0.40) HRH1ADRA1DADRA1AADRA1BLMNA
Hydrochloric Acid SCHEMBL3041326 0.94 HRH1 (0.39) HRH1ADRA1DADRA1AADRA1BLMNA
SCHEMBL3042751 0.92 NPC1 (0.41) HRH1ADRA1DADRA1AADRA1BLMNA
Hydrochloric Acid SCHEMBL3050328 0.91 HRH1 (0.41) HRH1ADRA1DADRA1AADRA1BLMNA
SCHEMBL3039106 0.91 HRH1 (0.40) HRH1ADRA1DADRA1AADRA1BLMNA
SCHEMBL3042692 0.91 HRH1 (0.41) HRH1ADRA1DADRA1AADRA1BLMNA
Hydrochloric Acid SCHEMBL3039350 0.90 HRH1 (0.39) HRH1ADRA1DADRA1AADRA1BLMNA
Hydrochloric Acid SCHEMBL3044473 0.90 HRH1 (0.41) HRH1ADRA1DADRA1AADRA1BLMNA

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 HRH1 4/4885ADRA1D 467/4885ADRA1A 669/4885

“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.