SCHEMBL9895931

SCHEMBL9895931

CS(=O)(=O)N1CCN(Cc2cccnc2Oc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.40
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
LTA4H P09960 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ICAM1 P05362 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
SCHEMBL9895169 0.89 GRM2 (0.43) GRM2MAPT
SCHEMBL9897925 0.89 GRM2 (0.43) GRM2KDM4EALOX15NPSR1MAPT
SCHEMBL9897544 0.89 GRM2 (0.44) GRM2KDM4EALOX15HTTNPSR1
SCHEMBL9895672 0.88 GRM2 (0.43) GRM2KDM4EALOX15HTTNPSR1
SCHEMBL9895038 0.88 GRM2 (0.39) GRM2KDM4EALOX15HTTNPSR1
SCHEMBL9895709 0.87 KDM4E (0.39) KDM4EALOX15HTTNPSR1CYP2D6
SCHEMBL9895151 0.87 GRM2 (0.38) GRM2KDM4EALOX15HTTLMNA
SCHEMBL9895323 0.87 GRM2 (0.43) GRM2LMNA
SCHEMBL9897053 0.87 GRM2 (0.40) GRM2KDM4EHTTCYP2D6TSHR
SCHEMBL9926797 0.86 GRM2 (0.41) 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 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 1/4885KDM4E 1441/4885ALOX15 2390/4885

“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.