SCHEMBL3034892

SCHEMBL3034892

CN1CCC(=C2c3ccccc3CCc3cc(C(=O)O)sc32)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
ALDH1A1 P00352 5/20 0.65
NOTUM Q6P988 5/20 0.65
HPGD P15428 4/20 0.65
LMNA P02545 4/20 0.65
SETD7 Q8WTS6 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 3/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CHRM2 P08172 4/20 0.50
CHRM1 P11229 4/20 0.50
HTR2A P28223 4/20 0.50
HTR2C P28335 4/20 0.50
HRH1 P35367 4/20 0.50
DRD2 P14416 3/20 0.50
ADRA1A P35348 3/20 0.50
OPRK1 P41145 3/20 0.50
HTR2B P41595 3/20 0.50

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
SCHEMBL3046158 0.85 ALDH1A1 (0.67) KDM4EALDH1A1NOTUMHPGDLMNA
SCHEMBL3046177 0.84 MAPK1 (0.60) KDM4EALDH1A1NOTUMHPGDLMNA
Hydrochloric Acid SCHEMBL3040531 0.84 ALDH1A1 (0.65) KDM4EALDH1A1NOTUMHPGDLMNA
SCHEMBL14693488 0.84 KDM4E (0.71) KDM4EALDH1A1NOTUMHPGDLMNA
Hydrochloric Acid SCHEMBL3044343 0.83 MAPK1 (0.59) KDM4EALDH1A1NOTUMHPGDLMNA
SCHEMBL3042775 0.82 ALDH1A1 (0.51) KDM4EALDH1A1NOTUMHPGDLMNA
SCHEMBL3044099 0.82 KDM4E (0.55) KDM4EALDH1A1NOTUMHPGDLMNA
SCHEMBL3042843 0.81 MAPK1 (0.60) KDM4EALDH1A1NOTUMHPGDLMNA
SCHEMBL3042840 0.81 MAPK1 (0.60) KDM4EALDH1A1NOTUMHPGDLMNA
Hydrochloric Acid SCHEMBL3049107 0.81 SETD7 (0.52) KDM4EALDH1A1NOTUMHPGDLMNA

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
EP-2243778-B1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2014-10-29 EP 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 1730/4885NOTUM 1157/4885

“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.