SCHEMBL8514353

SCHEMBL8514353

OC(COc1ccc2c(nnn2CC2CC2)c1Br)CN1CCC(F)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.45
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL8513172 0.92 GRM2 (0.42) GRM2KMT2AMEN1LMNANPY1R
SCHEMBL8510265 0.92 GRM2 (0.44) GRM2POLBATM
SCHEMBL8513274 0.92 GRM2 (0.44) GRM2KMT2APOLBATMADRB2
SCHEMBL8512821 0.91 KMT2A (0.48) GRM2KMT2AMEN1ADRB2ADRB1
SCHEMBL8510157 0.90 GRM2 (0.43) GRM2KMT2AMEN1LMNANPY1R
SCHEMBL8509532 0.89 GRM2 (0.40) GRM2KMT2AMEN1LMNANPY1R
SCHEMBL8512529 0.87 SCN1A (0.44) GRM2KMT2ALMNANPY1RNPY2R
SCHEMBL8510247 0.86 POLB (0.43) GRM2KMT2APOLBMEN1LMNA
SCHEMBL8509852 0.86 GRM2 (0.39) GRM2KMT2AMEN1LMNAADRB2
SCHEMBL8511132 0.86 HTR3A (0.40) GRM2KMT2AMEN1LMNAADRB2

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-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US claimed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US claimed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 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-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 GRM2 1/4885KMT2A 327/4885POLB 4059/4885

“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.