SCHEMBL9895151

SCHEMBL9895151

CS(=O)(=O)N1CCN(Cc2cc(Cl)cnc2Oc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.38
CNR1 P21554 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
DDR1 Q08345 1/20 0.34
LMNA P02545 1/20 0.33
SUV39H2 Q9H5I1 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
SLC2A2 P11168 1/20 0.33
TNF P01375 1/20 0.32
LITAF Q99732 1/20 0.32

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
SCHEMBL9895840 0.97 PTGDR2 (0.37) GRM2CNR1PTGDR2DDR1LMNA
SCHEMBL9895985 0.92 GRM2 (0.37) GRM2CNR1PTGDR2LMNASUV39H2
SCHEMBL9896924 0.92 GRM2 (0.36) GRM2PTGDR2DDR1TNFLITAF
SCHEMBL9896335 0.92 GRM2 (0.36) GRM2PTGDR2
SCHEMBL9895038 0.91 GRM2 (0.39) GRM2LMNAKDM4EALOX15HTT
SCHEMBL9894967 0.91 GRM2 (0.38) GRM2
SCHEMBL9896706 0.90 GRM2 (0.41) GRM2
SCHEMBL9897176 0.89 DDR1 (0.32) PTGDR2DDR1KDM4EALOX15HTT
SCHEMBL9894611 0.89 GRM2 (0.42) GRM2KDM4E
SCHEMBL9896223 0.89 GRM2 (0.41) GRM2KDM4E

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 GRM2 1/4885CNR1 91/4885PTGDR2 188/4885

“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.