SCHEMBL9895656

SCHEMBL9895656

Clc1cnc(Oc2ccc3c(nnn3CC3CC3)c2Br)c(CN2C[C@H]3C[C@@H]2CN3)c1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.37
HRH4 Q9H3N8 1/20 0.32
TLR7 Q9NYK1 4/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL9895248 1.00 GRM2 (0.37) GRM2HRH4TLR7CHRNB2CHRNA4
SCHEMBL9895247 1.00 GRM2 (0.37) GRM2HRH4TLR7CHRNB2CHRNA4
SCHEMBL9895657 1.00 GRM2 (0.37) GRM2HRH4TLR7CHRNB2CHRNA4
SCHEMBL9895814 0.85 GRM2 (0.38) GRM2TLR7
SCHEMBL9895515 0.84 GRM2 (0.32) GRM2
SCHEMBL9898075 0.83 GRM2 (0.35) GRM2
SCHEMBL9896873 0.83 GRM2 (0.35) GRM2
SCHEMBL9895955 0.83 GRM2 (0.35) GRM2
SCHEMBL9895655 0.83 GRM2 (0.35) GRM2
SCHEMBL9926787 0.82 GRM2 (0.46) GRM2

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
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

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 1/4885HRH4 378/4885TLR7 308/4885

“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.