SCHEMBL3040970

SCHEMBL3040970

O=C(O)c1cc2c(s1)CCc1ccccc1C2=C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 3/20 0.52
NOTUM Q6P988 3/20 0.52
HRH1 P35367 6/20 0.44
HRH4 Q9H3N8 5/20 0.44
JAK2 O60674 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PTAFR P25105 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADRB2 P07550 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 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
SCHEMBL3046177 0.85 MAPK1 (0.60) ALDH1A1LMNAKDM4EHPGDNOTUM
Hydrochloric Acid SCHEMBL3044343 0.84 MAPK1 (0.59) ALDH1A1LMNAKDM4EHPGDNOTUM
SCHEMBL14693641 0.83 KDM4E (0.58) ALDH1A1LMNAKDM4EHPGDHRH1
SCHEMBL3040648 0.82 PTAFR (0.69) ALDH1A1LMNAKDM4EHPGDNOTUM
SCHEMBL10531167 0.82 NOTUM (0.65) ALDH1A1LMNAKDM4EHPGDNOTUM
SCHEMBL3043915 0.82 MAPK1 (0.48) ALDH1A1LMNAKDM4EHPGDNOTUM
Methoxyamine SCHEMBL3146562 0.81 MAPK1 (0.55) ALDH1A1LMNAKDM4EHPGDNOTUM
Hydrochloric Acid SCHEMBL3045212 0.81 MEN1 (0.47) ALDH1A1LMNAKDM4EHPGDNOTUM
SCHEMBL3043670 0.81 MAPK1 (0.47) ALDH1A1LMNAKDM4EHPGDNOTUM
SCHEMBL3040945 0.80 MAPK1 (0.52) ALDH1A1LMNAKDM4EHPGDNOTUM

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 ALDH1A1 1730/4885LMNA 4870/4885KDM4E 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.