SCHEMBL2425983

SCHEMBL2425983

CC(C)(C)OC(=O)N1CCC(COC(C#N)c2cc(Cl)cc3cn(COCC[Si](C)(C)C)nc23)(c2ccc(F)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.38
JAK1 P23458 12/20 0.38
TACR1 P25103 2/20 0.35
F2RL1 P55085 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM1A O60341 1/20 0.32
SQOR Q9Y6N5 1/20 0.32

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
SCHEMBL2427667 0.92 TACR1 (0.33) JAK2JAK1TACR1SLC6A4KCNH2
SCHEMBL2423310 0.91 JAK2 (0.36) JAK2JAK1TACR1SQOR
SCHEMBL12290455 0.91 TACR1 (0.37) JAK2JAK1TACR1F2RL1CNR1
SCHEMBL12290807 0.91 TACR1 (0.37) JAK2JAK1TACR1F2RL1CNR1
SCHEMBL3928951 0.90 TACR1 (0.36) JAK2JAK1TACR1F2RL1CNR1
SCHEMBL2428536 0.90 TACR1 (0.35) JAK2JAK1TACR1F2RL1CNR1
SCHEMBL2426012 0.90 TACR1 (0.35) JAK2JAK1TACR1F2RL1CNR1
SCHEMBL2425604 0.90 TACR1 (0.36) JAK2JAK1TACR1F2RL1CNR1
SCHEMBL2427199 0.90 TACR1 (0.37) JAK2JAK1TACR1F2RL1CNR1
SCHEMBL2432268 0.90 TACR1 (0.36) JAK2JAK1TACR1F2RL1CNR1

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 JAK2 1236/4885JAK1 2915/4885TACR1 835/4885

“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.