SCHEMBL8510247

SCHEMBL8510247

CC(=O)N1CCN(CC(O)COc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ABCB1 P08183 6/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GRM2 Q14416 3/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL8512591 0.91 MEN1 (0.42) ABCB1LMNAKMT2AMEN1GRM2
SCHEMBL8508928 0.88 ABCB1 (0.50) POLBABCB1KMT2AMEN1GRM2
SCHEMBL8513274 0.88 GRM2 (0.44) POLBKMT2AGRM2KDM4EADRB2
SCHEMBL8510265 0.88 GRM2 (0.44) POLBABCB1GRM2KDM4E
SCHEMBL8509852 0.87 GRM2 (0.39) LMNAKMT2AMEN1GRM2MAPT
SCHEMBL8511132 0.87 HTR3A (0.40) LMNAKMT2AMEN1GRM2MAPT
SCHEMBL8510152 0.86 ABCB1 (0.47) L3MBTL1ABCB1LMNAKMT2AMEN1
SCHEMBL8514353 0.86 GRM2 (0.45) POLBLMNAKMT2AMEN1GRM2
SCHEMBL8513172 0.86 GRM2 (0.42) LMNAKMT2AMEN1GRM2ADRB2
SCHEMBL8510157 0.86 GRM2 (0.43) LMNAKMT2AMEN1GRM2ADRB2

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 POLB 4059/4885L3MBTL1 2893/4885ABCB1 986/4885

“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.