SCHEMBL3046587

SCHEMBL3046587

CN1CCC(=C2c3ccccc3OCc3cc(C(=O)OCC([NH])=O)sc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
HPGD P15428 8/20 0.53
KDM4E B2RXH2 7/20 0.53
GAA P10253 6/20 0.53
GLA P06280 4/20 0.53
HSD17B10 Q99714 3/20 0.53
MAPK1 P28482 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
ATM Q13315 2/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
MAPT P10636 9/20 0.49
RXFP1 Q9HBX9 4/20 0.49
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
TDP1 Q9NUW8 3/20 0.46
TP53 P04637 3/20 0.46
HTT P42858 2/20 0.46
NOTUM Q6P988 1/20 0.46

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
Hydrochloric Acid SCHEMBL14693456 0.89 MAPT (0.58) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL3044099 0.88 KDM4E (0.55) ALDH1A1HPGDKDM4EGAAMAPK1
SCHEMBL3046158 0.83 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EGAAGLA
Hydrochloric Acid SCHEMBL3040531 0.83 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL3030798 0.79 TP53 (0.60) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL3046185 0.78 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EGAAGLA
Hydrochloric Acid SCHEMBL3040589 0.77 KCNH2 (0.46) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL14693488 0.77 KDM4E (0.71) ALDH1A1HPGDKDM4EGAAGLA
Hydrochloric Acid SCHEMBL3043688 0.75 MAPT (0.48) ALDH1A1HPGDKDM4EGAAGLA
Hydrochloric Acid SCHEMBL3043690 0.75 MAPT (0.48) ALDH1A1HPGDKDM4EGAAGLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1730/4885HPGD 1070/4885KDM4E 1955/4885

“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.