SCHEMBL3044099

SCHEMBL3044099

CN1CCC(=C2c3ccccc3CCc3cc(C(=O)OCC([NH])=O)sc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
SETD7 Q8WTS6 1/20 0.47
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 4/20 0.43
NOTUM Q6P988 3/20 0.43
HRH1 P35367 5/20 0.42
CHRM2 P08172 4/20 0.42
CHRM1 P11229 4/20 0.42
HTR2A P28223 4/20 0.42
HTR2C P28335 4/20 0.42
ADRA1A P35348 3/20 0.42
OPRK1 P41145 3/20 0.42
HTR2B P41595 3/20 0.42

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
SCHEMBL14693488 0.89 KDM4E (0.71) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL3046587 0.88 ALDH1A1 (0.53) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL3042887 0.83 MAPK1 (0.45) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL3034892 0.82 KDM4E (0.65) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL3042775 0.77 ALDH1A1 (0.51) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL3045210 0.76 CYP2D6 (0.48) ALDH1A1TDP1SETD7MAPTMAPK1
Hydrochloric Acid SCHEMBL14693456 0.76 MAPT (0.58) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL3030543 0.76 KDM4E (0.57) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL3047592 0.75 MAPK1 (0.47) KDM4EALDH1A1HPGDL3MBTL1TDP1
Hydrochloric Acid SCHEMBL3049107 0.74 SETD7 (0.52) KDM4EALDH1A1HPGDTDP1SETD7

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

“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.