SCHEMBL9896708

SCHEMBL9896708

CC(C)(C)OC(=O)N1CCC(O)(c2cccnc2Oc2ccc3c(nnn3CC3CC3)c2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
GRM2 Q14416 3/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 5/20 0.36
PDE10A Q9Y233 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PKLR P30613 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 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
SCHEMBL9926812 0.91 PDE4A (0.35) POLBGRM2KCNH2PDE10AFNTA
SCHEMBL9896725 0.85 GRM2 (0.42) GRM2OPRD1OPRK1
SCHEMBL9896633 0.83 GRM2 (0.41) GRM2PDE10A
SCHEMBL9897553 0.83 GRM2 (0.41) GRM2
SCHEMBL9896362 0.83 POLB (0.37) POLBGRM2PDE10AGPR119FNTA
SCHEMBL9895222 0.83 GRM2 (0.41) GRM2
SCHEMBL9895393 0.83 GRM2 (0.36) GRM2KCNH2
SCHEMBL9894877 0.80 GRM2 (0.40) GRM2
SCHEMBL9895266 0.79 FNTA (0.36) POLBGRM2FNTAFNTB
SCHEMBL8512861 0.79 GRM2 (0.41) GRM2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US claimed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US claimed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 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 (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-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 POLB 4059/4885GRM2 1/4885OPRD1 316/4885

“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.