SCHEMBL2433923

SCHEMBL2433923

COc1cc(C(C)OCC2(c3ccc(F)cc3)CCN(C(=O)O)CC2)c2nn(COCC[Si](C)(C)C)cc2c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.33
SLC6A4 P31645 9/20 0.33
KCNH2 Q12809 9/20 0.33
NQO2 P16083 1/20 0.32
PTGER2 P43116 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
LTB4R Q15722 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
HSD11B1 P28845 1/20 0.30
DGAT1 O75907 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
SCHEMBL2427375 0.93 TACR1 (0.34) TACR1SLC6A4KCNH2
SCHEMBL12290405 0.92 TACR1 (0.36) TACR1SLC6A4KCNH2
SCHEMBL2425220 0.91 TACR1 (0.33) TACR1SLC6A4KCNH2
SCHEMBL2428891 0.91 TACR1 (0.34) TACR1SLC6A4KCNH2
SCHEMBL2431663 0.91 TACR1 (0.33) TACR1SLC6A4KCNH2DGAT1
SCHEMBL2430578 0.89 TACR1 (0.32) TACR1SLC6A4KCNH2
SCHEMBL2427815 0.89 TACR1 (0.41) TACR1SLC6A4KCNH2
SCHEMBL2431483 0.89 TACR1 (0.40) TACR1SLC6A4KCNH2
SCHEMBL2426009 0.89 TACR1 (0.39) TACR1SLC6A4KCNH2HSD11B1
SCHEMBL2432329 0.88 TACR1 (0.31) TACR1SLC6A4KCNH2

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 3 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-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO 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 TACR1 835/4885SLC6A4 102/4885KCNH2 668/4885

“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.