SCHEMBL9895778

SCHEMBL9895778

COC1CCN(Cc2cc(Cl)cnc2Oc2ccc3c(nnn3CC3CC3)c2Br)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.39
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
DDR1 Q08345 1/20 0.34
CCR5 P51681 2/20 0.33
MELK Q14680 1/20 0.32
CDC7 O00311 1/20 0.32
PIM1 P11309 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 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
SCHEMBL9896183 0.94 GRM2 (0.41) GRM2PDCD1CD274
SCHEMBL9895708 0.90 GRM2 (0.39) GRM2PDCD1CD274CCR5
SCHEMBL9894611 0.89 GRM2 (0.42) GRM2CCR5
SCHEMBL9896767 0.89 GRM2 (0.40) GRM2DDR1
SCHEMBL9896904 0.89 CCR5 (0.41) GRM2PDCD1CD274CCR5
SCHEMBL9896223 0.88 GRM2 (0.41) GRM2CCR5
SCHEMBL9895494 0.88 GRM2 (0.40) GRM2CCR5
SCHEMBL9896706 0.88 GRM2 (0.41) GRM2CCR5
SCHEMBL9896585 0.88 GRM2 (0.37) GRM2CCR5
SCHEMBL9896369 0.87 GRM2 (0.40) GRM2CCR5

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 7 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

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 1/4885PDCD1 3788/4885CD274 4396/4885

“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.