SCHEMBL8513240

SCHEMBL8513240

CC(C)(C)Cn1nnc2c(Br)c(OCc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.46
RXRB P28702 11/20 0.46
RXRG P48443 8/20 0.46
FOLH1 Q04609 1/20 0.41
NR4A2 P43354 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 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
SCHEMBL8512806 0.87 GRM2 (0.37) RXRARXRBRXRGMRGPRX4
SCHEMBL8513629 0.87 BRD4 (0.43) NPC1RAB9A
SCHEMBL8513043 0.84 GRM2 (0.37) SMN1; SMN2
SCHEMBL8511763 0.81 GRM2 (0.55) MRGPRX4
SCHEMBL8511980 0.81 MRGPRX4 (0.48) MRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL8513573 0.80 MRGPRX4 (0.48) MRGPRX4
SCHEMBL8512391 0.80 GRM2 (0.47) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL8510325 0.80 GRM2 (0.35) MRGPRX4
SCHEMBL8512251 0.80 TP53 (0.39) HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8512873 0.78 GRM2 (0.42) HPGDSMN1; SMN2POLB

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 RXRA 236/4885RXRB 219/4885RXRG 212/4885

“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.