SCHEMBL1688152

SCHEMBL1688152

COCc1ccc(CN2CCC3(CC2)OCc2ccccc23)s1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.56
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
KCNH2 Q12809 1/20 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
SCHEMBL16743884 0.89 SIGMAR1 (0.54) SIGMAR1OPRM1OPRK1KCNH2
SCHEMBL15158598 0.88 SIGMAR1 (0.53) SIGMAR1OPRM1OPRK1KCNH2
SCHEMBL15160120 0.83 SIGMAR1 (0.72) SIGMAR1
SCHEMBL4206840 0.76 SIGMAR1 (0.80) SIGMAR1
SCHEMBL8014953 0.76 SIGMAR1 (0.63) SIGMAR1OPRM1OPRK1KCNH2
SCHEMBL17367289 0.75 SIGMAR1 (0.57) SIGMAR1OPRM1OPRK1KCNH2
SCHEMBL8010724 0.75 SIGMAR1 (0.66) SIGMAR1
Hydrochloric Acid SCHEMBL2882074 0.75 SIGMAR1 (0.78) SIGMAR1
SCHEMBL13519328 0.75 SIGMAR1 (0.59) SIGMAR1OPRM1OPRK1KCNH2
SCHEMBL15160318 0.74 FFAR1 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-02-27 US disclosed
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
WO-2012046869-A1 CYCLIC AMIDE DERIVATIVE 持田製薬株式会社 (JP) 2012-04-12 WO 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 (3 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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 SIGMAR1 484/4885OPRM1 1421/4885OPRK1 1109/4885
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 SIGMAR1 474/4885OPRM1 1383/4885OPRK1 1161/4885
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 SIGMAR1 250/4885OPRM1 824/4885OPRK1 650/4885

“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.