SCHEMBL12289528

SCHEMBL12289528

CC(=O)c1cc(Br)cc2c1ncn2COCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ PNP P00491 1/20 0.31
▸ EDNRA P25101 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ HBB P68871 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ EGLN3 Q9H6Z9 1/20 0.30

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
SCHEMBL2423365 0.87 NPC1 (0.36) DGAT1NPC1TSHRMEN1KMT2A
SCHEMBL13961677 0.86 TSHR (0.34) NPC1TSHRMEN1KMT2AUSP2
SCHEMBL17758611 0.83 RORC (0.40) NPC1MEN1KMT2A
SCHEMBL29482218 0.83 RORC (0.40) NPC1MEN1KMT2A
SCHEMBL31337206 0.82 DGAT1 (0.39) DGAT1MEN1KMT2A
SCHEMBL12289551 0.81 DGAT1 (0.35) DGAT1NPC1TSHRUSP2PNP
SCHEMBL9953866 0.81 DGAT1 (0.36) DGAT1NPC1TSHRMEN1KMT2A
SCHEMBL27250977 0.81 DGAT1 (0.41) DGAT1
SCHEMBL30897298 0.81 DGAT1 (0.41) DGAT1
SCHEMBL2422457 0.79 DGAT1 (0.36) DGAT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 — — US disclosed
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 — — US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 — — US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 — — 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-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 DGAT1 1965/4885NPC1 108/4885TSHR 1415/4885

“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.

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