SCHEMBL12290367

SCHEMBL12290367

CC(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(C#N)cc2cn(COCC[Si](C)(C)C)nc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
JAK2 O60674 11/20 0.37
JAK1 P23458 11/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
F2RL1 P55085 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
SQOR Q9Y6N5 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL12290419 0.93 TACR1 (0.38) TACR1SLC6A4KCNH2JAK2JAK1
SCHEMBL2426009 0.92 TACR1 (0.39) TACR1SLC6A4KCNH2JAK2JAK1
SCHEMBL12290351 0.91 TACR1 (0.37) TACR1SLC6A4KCNH2JAK2JAK1
SCHEMBL12290385 0.91 TACR1 (0.37) TACR1SLC6A4KCNH2JAK2JAK1
SCHEMBL12290807 0.90 TACR1 (0.37) TACR1SLC6A4KCNH2JAK2JAK1
SCHEMBL12290455 0.90 TACR1 (0.37) TACR1SLC6A4KCNH2JAK2JAK1
SCHEMBL12290405 0.89 TACR1 (0.36) TACR1SLC6A4KCNH2JAK2JAK1
SCHEMBL12290286 0.89 TACR1 (0.44) TACR1SLC6A4KCNH2F2RL1
SCHEMBL12290374 0.89 TACR1 (0.36) TACR1SLC6A4KCNH2JAK2JAK1
SCHEMBL12290356 0.88 TACR1 (0.39) TACR1SLC6A4KCNH2JAK2JAK1

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 2 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

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.