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SCHEMBL9894761

SCHEMBL9894761

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 4/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ PTGDR2 Q9Y5Y4 3/20 0.33
▸ CCNT1 O60563 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SUV39H2 Q9H5I1 2/20 0.32
▸ ALOX15 P16050 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) GRM2KDM4ECNR1PTGDR2LMNA
SCHEMBL9895151 0.89 GRM2 (0.38) GRM2KDM4ECNR1PTGDR2LMNA
SCHEMBL9897096 0.87 GRM2 (0.38) GRM2KDM4ECNR1PTGDR2LMNA
SCHEMBL9895840 0.86 PTGDR2 (0.37) GRM2KDM4ECNR1PTGDR2LMNA
SCHEMBL9896148 0.83 CCR3 (0.39) GRM2KDM4ETSHRCNR1PTGDR2
SCHEMBL9896172 0.82 CNR1 (0.35) GRM2KDM4ESMN1; SMN2CNR1LMNA
SCHEMBL9896335 0.81 GRM2 (0.36) GRM2PTGDR2
SCHEMBL9896924 0.81 GRM2 (0.36) GRM2PTGDR2TNFLITAF
SCHEMBL9895038 0.80 GRM2 (0.39) GRM2KDM4ETSHRCCNT1CDK9
SCHEMBL9894967 0.79 GRM2 (0.38) 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 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 1/4885SCN9A 3983/4885KDM4E 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.