SCHEMBL3030802

SCHEMBL3030802

CN1CCC(=C2c3ccccc3CCc3sc(C(=O)NC(CO)CO)cc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.49
CYP2C19 P33261 4/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CHRM2 P08172 6/20 0.49
CHRM1 P11229 6/20 0.49
ADRA1A P35348 5/20 0.49
KCNH2 Q12809 5/20 0.49
HTR2A P28223 5/20 0.49
HTR2C P28335 5/20 0.49
HRH1 P35367 5/20 0.49
ADRA2A P08913 5/20 0.49
DRD1 P21728 5/20 0.49
DRD3 P35462 5/20 0.49
HTR1A P08908 4/20 0.49
HTR2B P41595 4/20 0.49
DRD2 P14416 4/20 0.49
ADRA2B P18089 4/20 0.49

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
SCHEMBL3036768 0.91 CYP2D6 (0.48) CYP2D6CYP2C19MAPTMAPK1MEN1
SCHEMBL3046215 0.87 SETD7 (0.57) CYP2D6CYP2C19MAPTMAPK1MEN1
SCHEMBL3037289 0.86 CYP2D6 (0.49) CYP2D6CYP2C19MAPTMAPK1MEN1
SCHEMBL3046588 0.85 DRD2 (0.50) CYP2D6CYP2C19MAPTMAPK1MEN1
SCHEMBL3044352 0.84 MAPT (0.49) CYP2D6CYP2C19MAPTMAPK1MEN1
Hydrochloric Acid SCHEMBL3779856 0.84 SETD7 (0.51) CYP2D6CYP2C19MAPTMAPK1MEN1
Hydrochloric Acid SCHEMBL3040912 0.83 MAPT (0.48) CYP2D6CYP2C19MAPTMAPK1MEN1
SCHEMBL3036793 0.83 MAPT (0.48) CYP2D6CYP2C19MAPTMAPK1MEN1
SCHEMBL3030487 0.83 CYP2D6 (0.51) CYP2D6CYP2C19MAPTMAPK1MEN1
SCHEMBL3046581 0.83 KMT2A (0.48) CYP2D6CYP2C19MAPTMAPK1MEN1

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 CYP2D6 729/4885CYP2C19 721/4885MAPT 2217/4885

“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.