SCHEMBL3030828

SCHEMBL3030828

CN1CCC(=C2c3ccccc3OCc3ccsc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 5/20 0.56
DRD1 P21728 7/20 0.53
DRD3 P35462 7/20 0.53
CHRM2 P08172 6/20 0.53
CHRM1 P11229 6/20 0.53
KCNH2 Q12809 6/20 0.53
ADRA2A P08913 5/20 0.53
HTR2A P28223 5/20 0.53
HTR2C P28335 5/20 0.53
HRH1 P35367 5/20 0.53
ADRA1A P35348 5/20 0.53
ADRA2B P18089 4/20 0.53
LMNA P02545 4/20 0.53
HTR2B P41595 4/20 0.53
CYP2D6 P10635 4/20 0.53
CYP2C19 P33261 4/20 0.53
HTR3A P46098 3/20 0.53
ADRA2C P18825 3/20 0.53
ADRA1D P25100 3/20 0.53
OPRK1 P41145 3/20 0.53

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
SCHEMBL3044086 0.83 HRH1 (0.52) SETD7DRD1DRD3CHRM2CHRM1
SCHEMBL3043693 0.83 DRD1 (0.43) SETD7DRD1DRD3CHRM2CHRM1
SCHEMBL3044995 0.82 DRD3 (0.70) SETD7DRD1DRD3CHRM2CHRM1
SCHEMBL11600017 0.82 SETD7 (0.71) SETD7DRD1DRD3CHRM2CHRM1
SCHEMBL3042888 0.80 DRD1 (0.39) SETD7DRD1DRD3CHRM2CHRM1
SCHEMBL3050560 0.79 SETD7 (0.52) SETD7DRD1DRD3CHRM2CHRM1
SCHEMBL29412616 0.77 ALDH1A1 (0.49) DRD1DRD3CHRM2CHRM1KCNH2
SCHEMBL987683 0.77 ALDH1A1 (0.49) DRD1DRD3CHRM2CHRM1KCNH2
SCHEMBL3044376 0.76 MAPK1 (0.40) SETD7DRD1DRD3CHRM2CHRM1
Hydrochloric Acid SCHEMBL3030453 0.76 HRH1 (0.43) DRD1DRD3CHRM2CHRM1KCNH2

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 SETD7 1033/4885DRD1 134/4885DRD3 88/4885

“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.