SCHEMBL9895539

SCHEMBL9895539

CS(=O)(=O)N1CCN(Cc2ccc(F)nc2Oc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.37
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
CCR3 P51677 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
SUV39H2 Q9H5I1 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
SCHEMBL9895922 0.90 GRM2 (0.37) GRM2NPSR1KDM4EALOX15HTT
SCHEMBL9895038 0.87 GRM2 (0.39) GRM2NPSR1KDM4EALOX15HTT
SCHEMBL9895931 0.86 GRM2 (0.40) GRM2NPSR1KDM4EALOX15HTT
SCHEMBL9895151 0.83 GRM2 (0.38) GRM2KDM4EALOX15HTTLMNA
SCHEMBL9895840 0.81 PTGDR2 (0.37) GRM2KDM4EALOX15HTTLMNA
SCHEMBL9897402 0.80 GRM2 (0.37) GRM2KDM4EALOX15HTTCYP2D6
SCHEMBL9895107 0.79 MEN1 (0.36) GRM2CCR3CYP2D6TSHR
SCHEMBL8511653 0.79 GRM2 (0.42) GRM2KDM4ELMNA
SCHEMBL9896143 0.78 GRM2 (0.38) GRM2CCR3
SCHEMBL8511974 0.78 GRM2 (0.41) GRM2KDM4ELMNA

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 9 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-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 GRM2 1/4885NPSR1 403/4885KDM4E 1441/4885

“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.