SCHEMBL9897096

SCHEMBL9897096

CS(=O)(=O)N1CCN(Cc2cc(Cl)cnc2Oc2ccc3c(nnn3CC3CC3)c2C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.38
NPSR1 Q6W5P4 1/20 0.36
DDR1 Q08345 2/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33
CNR1 P21554 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CCR3 P51677 1/20 0.33
LMNA P02545 1/20 0.32
SUV39H2 Q9H5I1 2/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
MGLL Q99685 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
SCHEMBL9895985 0.90 GRM2 (0.37) GRM2PTGDR2CNR1KDM4ECCR3
SCHEMBL9895151 0.89 GRM2 (0.38) GRM2DDR1PTGDR2CNR1KDM4E
SCHEMBL9894761 0.87 GRM2 (0.36) GRM2PTGDR2CNR1KDM4ELMNA
SCHEMBL9895840 0.86 PTGDR2 (0.37) GRM2DDR1PTGDR2CNR1KDM4E
SCHEMBL9896148 0.85 CCR3 (0.39) GRM2NPSR1PTGDR2CNR1KDM4E
SCHEMBL9896172 0.82 CNR1 (0.35) GRM2DDR1CNR1KDM4EALDH1A1
SCHEMBL9895038 0.82 GRM2 (0.39) GRM2NPSR1KDM4ECCR3LMNA
SCHEMBL9897176 0.81 DDR1 (0.32) NPSR1DDR1PTGDR2KDM4EALOX15
SCHEMBL9896335 0.81 GRM2 (0.36) GRM2PTGDR2CCR3
SCHEMBL9896924 0.81 GRM2 (0.36) GRM2DDR1PTGDR2CCR3

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 1/4885NPSR1 403/4885DDR1 3651/4885

“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.