SCHEMBL9895760

SCHEMBL9895760

C[C@@H]1CN(Cc2cc(F)cnc2Oc2ccc3c(nnn3CC3CC3)c2Br)CCN1S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.34
PIK3CA P42336 1/20 0.34
KCNH2 Q12809 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
CCR3 P51677 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
SCHEMBL9926803 1.00 GRM2 (0.37) GRM2PTGDR2PIK3CAKCNH2CCNT1
SCHEMBL9895038 0.90 GRM2 (0.39) GRM2CCNT1CDK9CCR3
SCHEMBL9896113 0.88 PTGDR2 (0.39) GRM2PTGDR2KCNH2
SCHEMBL9894961 0.88 PTGDR2 (0.39) GRM2PTGDR2KCNH2
SCHEMBL9895803 0.88 GRM2 (0.36) GRM2CCR3
SCHEMBL9896143 0.87 GRM2 (0.38) GRM2CCNT1CDK9CCR3
SCHEMBL9895979 0.87 GRM2 (0.35) GRM2CCR3
SCHEMBL9895645 0.86 GRM2 (0.36) GRM2PTGDR2PIK3CA
SCHEMBL9895715 0.86 GRM2 (0.36) GRM2PTGDR2PIK3CA
SCHEMBL9895913 0.86 GRM2 (0.36) GRM2CCR3

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 1/4885PTGDR2 188/4885PIK3CA 3955/4885

“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.