SCHEMBL2425399

SCHEMBL2425399

CC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(N2CCOCC2)cc2c[nH]nc12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.37
KCNH2 Q12809 9/20 0.37
SLC6A4 P31645 8/20 0.37
LRRK2 Q5S007 1/20 0.35
TNIK Q9UKE5 1/20 0.33
PIK3CA P42336 3/20 0.31
LMNA P02545 1/20 0.31
KDR P35968 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL2425396 1.00 TACR1 (0.37) TACR1KCNH2SLC6A4LRRK2TNIK
SCHEMBL2428921 0.86 TACR1 (0.41) TACR1KCNH2SLC6A4
SCHEMBL12290380 0.84 TACR1 (0.36) TACR1KCNH2SLC6A4LRRK2TNIK
SCHEMBL2425397 0.83 TACR1 (0.35) TACR1KCNH2SLC6A4
SCHEMBL2431501 0.82 TACR1 (0.39) TACR1KCNH2SLC6A4
SCHEMBL2433722 0.81 TACR1 (0.44) TACR1KCNH2SLC6A4
SCHEMBL3934647 0.81 TACR1 (0.41) TACR1KCNH2SLC6A4LRRK2PIK3CA
SCHEMBL2426596 0.80 TACR1 (0.40) TACR1KCNH2SLC6A4
SCHEMBL12289768 0.76 TACR1 (0.40) TACR1KCNH2SLC6A4
SCHEMBL2424017 0.73 ACACB (0.35) TNIKLMNA

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 835/4885KCNH2 668/4885SLC6A4 102/4885

“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.