SCHEMBL3036659

SCHEMBL3036659

CN1CCC(=C2c3ccccc3CC(=O)c3sc(C=CC(=O)O)cc32)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.68
HRH1 P35367 6/20 0.68
CHRM2 P08172 5/20 0.68
ADRA2A P08913 5/20 0.68
CHRM1 P11229 5/20 0.68
DRD1 P21728 5/20 0.68
ADRA2B P18089 4/20 0.68
HTR2A P28223 4/20 0.68
HTR2C P28335 4/20 0.68
DRD2 P14416 4/20 0.68
LMNA P02545 3/20 0.68
HTR3A P46098 3/20 0.68
CHRM4 P08173 3/20 0.68
CHRM5 P08912 3/20 0.68
CHRM3 P20309 3/20 0.68
HTR6 P50406 3/20 0.68
HTR7 P34969 3/20 0.68
MAPK1 P28482 2/20 0.68
DRD5 P21918 1/20 0.68
HTR1B P28222 1/20 0.68

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
SCHEMBL3036656 1.00 DRD3 (0.68) DRD3HRH1CHRM2ADRA2ACHRM1
SCHEMBL3787498 0.87 DRD3 (0.55) DRD3HRH1CHRM2ADRA2ACHRM1
SCHEMBL3787497 0.87 DRD3 (0.55) DRD3HRH1CHRM2ADRA2ACHRM1
SCHEMBL3041082 0.83 DRD3 (0.61) DRD3HRH1CHRM2ADRA2ACHRM1
SCHEMBL3042843 0.83 MAPK1 (0.60) DRD3HRH1CHRM2ADRA2ACHRM1
SCHEMBL3042840 0.83 MAPK1 (0.60) DRD3HRH1CHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL3040953 0.81 MAPK1 (0.67) DRD3HRH1CHRM2ADRA2ACHRM1
Ketotifen SCHEMBL8810 0.81 DRD3 (1.00) DRD3HRH1CHRM2ADRA2ACHRM1
Ketotifen SCHEMBL226911 0.81 DRD3 (1.00) DRD3HRH1CHRM2ADRA2ACHRM1
Ketotifen SCHEMBL1170677 0.81 DRD3 (1.00) DRD3HRH1CHRM2ADRA2ACHRM1

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 88/4885HRH1 4/4885CHRM2 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.