SCHEMBL2433722

SCHEMBL2433722

CC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(N(C)C)cc2c[nH]nc12

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.44
SLC6A4 P31645 8/20 0.44
KCNH2 Q12809 7/20 0.44
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL2428921 0.90 TACR1 (0.41) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL2431501 0.87 TACR1 (0.39) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL2426596 0.84 TACR1 (0.40) TACR1SLC6A4KCNH2
SCHEMBL2429004 0.83 SLC6A4 (0.43) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL2425396 0.81 TACR1 (0.37) TACR1SLC6A4KCNH2
SCHEMBL2425397 0.81 TACR1 (0.35) TACR1SLC6A4KCNH2
SCHEMBL2425399 0.81 TACR1 (0.37) TACR1SLC6A4KCNH2
SCHEMBL3923007 0.80 TACR1 (0.48) TACR1SLC6A4KCNH2
SCHEMBL13945396 0.73 TACR1 (0.39) TACR1SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL13962482 0.72 TACR1 (0.38) TACR1SLC6A4KCNH2SLC6A2SLC6A3

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.