SCHEMBL9895038

SCHEMBL9895038

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.39
CCR3 P51677 2/20 0.37
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
MAPK14 Q16539 1/20 0.33
CCR5 P51681 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 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
SCHEMBL9895107 0.92 MEN1 (0.36) GRM2CCR3CCNT1CDK9CCR5
SCHEMBL9895151 0.91 GRM2 (0.38) GRM2KDM4EALOX15HTTLMNA
SCHEMBL9896143 0.91 GRM2 (0.38) GRM2CCR3CCNT1CDK9CCR5
SCHEMBL9896148 0.91 CCR3 (0.39) GRM2CCR3KDM4EALOX15HTT
SCHEMBL9895913 0.90 GRM2 (0.36) GRM2CCR3CCR5
SCHEMBL9926803 0.90 GRM2 (0.37) GRM2CCR3CCNT1CDK9
SCHEMBL9895760 0.90 GRM2 (0.37) GRM2CCR3CCNT1CDK9
SCHEMBL9896556 0.89 CYP2D6 (0.40) GRM2CCR3CYP2D6TSHR
SCHEMBL9895803 0.89 GRM2 (0.36) GRM2CCR3
SCHEMBL9895645 0.89 GRM2 (0.36) 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 1/4885CCR3 3684/4885KDM4E 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.