SCHEMBL3046840

SCHEMBL3046840

O=C(O)COCCN1CCC(=C2c3ccccc3CCc3sc(C(=O)O)cc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
NOTUM Q6P988 1/20 0.41
HRH1 P35367 5/20 0.40
DRD3 P35462 3/20 0.40
SLC6A2 P23975 2/20 0.40
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
HTR2B P41595 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
DRD2 P14416 2/20 0.40

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
SCHEMBL3776297 0.91 MEN1 (0.46) CYP2D6CYP2C19MEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL3781025 0.89 MEN1 (0.41) CYP2D6CYP2C19MEN1MAPTMAPK1
SCHEMBL3787169 0.87 CYP2D6 (0.47) CYP2D6CYP2C19MEN1MAPTMAPK1
SCHEMBL9718818 0.87 SETD7 (0.51) CYP2D6CYP2C19MEN1MAPTMAPK1
SCHEMBL3042820 0.86 MEN1 (0.46) CYP2D6CYP2C19MEN1MAPTMAPK1
SCHEMBL3043670 0.86 MAPK1 (0.47) CYP2D6CYP2C19MEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL3782412 0.85 MEN1 (0.45) CYP2D6CYP2C19MEN1MAPTMAPK1
SCHEMBL3036920 0.85 MEN1 (0.45) CYP2D6CYP2C19MEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL3037480 0.85 MAPK1 (0.47) CYP2D6CYP2C19MEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL3046179 0.84 KMT2A (0.48) CYP2D6CYP2C19MEN1MAPTMAPK1

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 721/4885MEN1 4423/4885

“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.