SCHEMBL9896347

SCHEMBL9896347

CC(=O)NCc1cc(Cl)cnc1Oc1ccc2c(nnn2CC2CC2)c1Br

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.40
SETDB1 Q15047 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
CRHR1 P34998 5/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL9896878 0.93 GRM2 (0.40) GRM2HTR2AHTR2CSLC6A4CRHR1
SCHEMBL9926867 0.90 GRM2 (0.38) GRM2HTR2AHTR2CSLC6A4CRHR1
SCHEMBL9926889 0.90 GRM2 (0.38) GRM2HTR2AHTR2CSLC6A4
SCHEMBL9896457 0.89 GRM2 (0.37) GRM2
SCHEMBL9926787 0.88 GRM2 (0.46) GRM2HTR2AHTR2CSLC6A4CRHR1
SCHEMBL9896427 0.88 ROCK2 (0.39) GRM2CRHR1CRHR2
SCHEMBL9894894 0.87 AR (0.38) GRM2HTR2AHTR2CSLC6A4CRHR1
SCHEMBL9896286 0.87 ALDH1A1 (0.36) GRM2CRHR1CRHR2
SCHEMBL9896564 0.87 GRM2 (0.35) GRM2HTR2AHTR2CSLC6A4CRHR1
SCHEMBL9896667 0.87 GRM2 (0.35) GRM2HTR2AHTR2CSLC6A4CRHR1

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 7 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
EP-2470527-A1 ETHER BENZOTRIAZOLE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2012-07-04 EP 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-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 GRM2 1/4885SETDB1 3045/4885HTR2A 179/4885

“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.