SCHEMBL8508928

SCHEMBL8508928

O=C(c1ccccc1)N1CCN(CC(O)COc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.50
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
USP2 O75604 1/20 0.44
ADRB2 P07550 3/20 0.42
ADRB1 P08588 3/20 0.42
ADRB3 P13945 3/20 0.42
SCN1A P35498 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
GRM2 Q14416 1/20 0.39

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
SCHEMBL8510247 0.88 POLB (0.43) ABCB1ALDH1A1POLBMEN1KMT2A
SCHEMBL8512963 0.87 L3MBTL1 (0.42) ABCB1ALDH1A1POLBMEN1KMT2A
SCHEMBL8512591 0.86 MEN1 (0.42) ABCB1MEN1KMT2AUSP2ADRB2
SCHEMBL8510265 0.85 GRM2 (0.44) ABCB1POLBKDM4EGRM2
SCHEMBL8513274 0.85 GRM2 (0.44) POLBKMT2AKDM4EADRB2ADRB1
SCHEMBL8510768 0.85 ALDH1A1 (0.49) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL8514353 0.83 GRM2 (0.45) POLBMEN1KMT2AADRB2ADRB1
SCHEMBL8513172 0.83 GRM2 (0.42) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL8512529 0.83 SCN1A (0.44) ABCB1KMT2AADRB2ADRB1ADRB3
SCHEMBL8512821 0.83 KMT2A (0.48) ABCB1MEN1KMT2AUSP2ADRB2

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 ABCB1 986/4885ALDH1A1 3327/4885POLB 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.