SCHEMBL1999065

SCHEMBL1999065

OCCNC1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
MAPK1 P28482 1/20 0.37
OPRK1 P41145 1/20 0.37
DPP4 P27487 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
RAD52 P43351 1/20 0.37
SLC6A1 P30531 2/20 0.35
SLC6A11 P48066 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A13 Q9NSD5 1/20 0.35
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
KDM1A O60341 2/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL12120418 0.88
SCHEMBL8802474 0.88
Hydrochloric Acid SCHEMBL7006416 0.86 KCNH2 (0.55) KCNH2DPP4FAPDPP8DPP9
SCHEMBL28281137 0.82 KCNH2 (0.45) KCNH2MAPK1OPRK1DPP4FAP
SCHEMBL28281138 0.82 KCNH2 (0.45) KCNH2MAPK1OPRK1DPP4FAP
SCHEMBL5768036 0.80 KCNH2 (0.53) KCNH2MAPK1OPRK1DPP4FAP
SCHEMBL27419894 0.80 KCNH2 (0.53) KCNH2MAPK1OPRK1DPP4FAP
Hydrochloric Acid SCHEMBL28253889 0.78 KCNH2 (0.52) KCNH2MAPK1OPRK1DPP4FAP
SCHEMBL21169959 0.78
SCHEMBL6669807 0.77 GNAI3 (0.51) KCNH2MAPK1OPRK1RAD52KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399681-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS BIGNAN GILLES (US) 2012-11-29 US disclosed
EP-2513096-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-A MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP disclosed
US-8263781-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
WO-2011075565-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-Aα MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 WO disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 US 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 (2 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-20120302544-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R KCNH2 4463/4885MAPK1 2715/4885OPRK1 549/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R KCNH2 4463/4885MAPK1 2715/4885OPRK1 549/4885

“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.