SCHEMBL3046574

SCHEMBL3046574

CCOC(=O)c1ccc2c(c1)C(=C1CCN(CC)CC1)c1sccc1CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK14 Q16539 1/20 0.38
DRD3 P35462 1/20 0.38
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL3042897 0.92 CYP2C9 (0.43) SRD5A1SRD5A2ALDH1A1KDM4EL3MBTL1
SCHEMBL3044463 0.87 MAPK1 (0.38) SRD5A1SRD5A2ALDH1A1TDP1DRD3
SCHEMBL14693636 0.80 DRD3 (0.55) SRD5A1SRD5A2ALDH1A1KDM4ETDP1
SCHEMBL11458444 0.75 SETD7 (0.57) ALDH1A1KDM4EL3MBTL1HPGDTDP1
SCHEMBL30583381 0.70 BRD4 (0.55) SRD5A1SRD5A2ALDH1A1KDM4EL3MBTL1
SCHEMBL31337617 0.70 BRD4 (0.55) SRD5A1SRD5A2ALDH1A1KDM4EL3MBTL1
SCHEMBL3040876 0.69 HRH1 (0.41) SRD5A1SRD5A2ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL3037285 0.68 CYP2D6 (0.45) SRD5A2ALDH1A1KDM4EHPGDTDP1
Hydrochloric Acid SCHEMBL14693497 0.68 KDM4E (0.54) ALDH1A1KDM4EL3MBTL1HPGDTDP1
SCHEMBL10809444 0.67 SETD7 (0.59) ALDH1A1KDM4EDRD3CYP2C9MAPK1

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 SRD5A1 3806/4885SRD5A2 4100/4885ALDH1A1 1730/4885

“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.