SCHEMBL3044995

SCHEMBL3044995

CN1CCC(=C2c3ccccc3CCc3ccsc32)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.70
DRD1 P21728 7/20 0.70
DRD2 P14416 7/20 0.70
CHRM2 P08172 6/20 0.70
CHRM1 P11229 6/20 0.70
HTR2A P28223 5/20 0.70
HTR2C P28335 5/20 0.70
HRH1 P35367 5/20 0.70
ADRA1A P35348 5/20 0.70
KCNH2 Q12809 5/20 0.70
ADRA2A P08913 5/20 0.70
HTR2B P41595 4/20 0.70
ADRA2B P18089 4/20 0.70
LMNA P02545 4/20 0.70
HTR1A P08908 4/20 0.70
OPRK1 P41145 3/20 0.70
HTR3A P46098 3/20 0.70
ADRA2C P18825 3/20 0.70
ADRA1D P25100 3/20 0.70
HTR7 P34969 3/20 0.70

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
SCHEMBL3030828 0.82 SETD7 (0.56) DRD3DRD1DRD2CHRM2CHRM1
Pizotyline SCHEMBL29366884 0.82 DRD1 (1.00) DRD3DRD1DRD2CHRM2CHRM1
Pizotyline SCHEMBL8771138 0.82 DRD1 (1.00) DRD3DRD1DRD2CHRM2CHRM1
Pizotyline SCHEMBL44122 0.82 DRD1 (1.00) DRD3DRD1DRD2CHRM2CHRM1
SCHEMBL7817056 0.82 SETD7 (1.00) DRD3DRD1DRD2CHRM2CHRM1
Pizotyline SCHEMBL11436430 0.81 DRD1 (0.97) DRD3DRD1DRD2CHRM2CHRM1
SCHEMBL3047867 0.81 HRH1 (0.61) DRD3DRD1DRD2CHRM2CHRM1
Ketotifen SCHEMBL4436 0.77 DRD3 (1.00) DRD3DRD1DRD2CHRM2CHRM1
Ketotifen SCHEMBL29356083 0.77 DRD3 (1.00) DRD3DRD1DRD2CHRM2CHRM1
Ketotifen SCHEMBL223510 0.77 DRD3 (1.00) DRD3DRD1DRD2CHRM2CHRM1

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 DRD3 88/4885DRD1 134/4885DRD2 34/4885

“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.