SCHEMBL3044102

SCHEMBL3044102

O=C(O)/C=C/c1ccc2c(c1)C(=C1CCNCC1)c1sccc1CO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HRH1 P35367 4/20 0.38
HRH4 Q9H3N8 3/20 0.38
LMNA P02545 3/20 0.35
JAK2 O60674 1/20 0.35
HTT P42858 1/20 0.35
ALOX5 P09917 2/20 0.35
MAPK1 P28482 4/20 0.35
PMP22 Q01453 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35

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
SCHEMBL3044104 1.00 KDM4E (0.41) KDM4EHRH1HRH4LMNAJAK2
SCHEMBL3040895 0.88 HRH1 (0.48) KDM4EHRH1HRH4LMNAHTT
SCHEMBL3040898 0.88 HRH1 (0.48) KDM4EHRH1HRH4LMNAHTT
Hydrochloric Acid SCHEMBL3039127 0.85 ALOX5 (0.41) KDM4EALOX5MAPTALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL3039122 0.85 ALOX5 (0.41) KDM4EALOX5MAPTALDH1A1CYP3A4
SCHEMBL3042921 0.81 HRH1 (0.42) HRH1HRH4LMNAAKR1B1
Hydrochloric Acid SCHEMBL3044388 0.80 HRH1 (0.42) HRH1HRH4LMNAAKR1B1
Hydrochloric Acid SCHEMBL3030554 0.78 HRH1 (0.36) HRH1HRH4LMNAJAK2HTT
Hydrochloric Acid SCHEMBL3030796 0.77 HRH1 (0.37) HRH1HRH4CYP1A2
SCHEMBL3158218 0.77 HRH1 (0.37) HRH1HRH4HDAC3HDAC1HDAC2

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 1955/4885HRH1 4/4885HRH4 1/4885

“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.