SCHEMBL12290246

SCHEMBL12290246

Cc1cc(COCC2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)cc2cn(COCC[Si](C)(C)C)nc12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.56
CCR5 P51681 3/20 0.40
SLC6A4 P31645 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL2425756 0.92 TACR1 (0.45) TACR1SLC6A4
SCHEMBL3925074 0.88 TACR1 (0.42) TACR1CCR5SLC6A4OPRD1OPRK1
SCHEMBL12290256 0.88 TACR1 (0.50) TACR1CCR5SLC6A4OPRD1OPRK1
SCHEMBL2427066 0.86 TACR1 (0.49) TACR1CCR5SLC6A4OPRD1OPRK1
SCHEMBL12290341 0.85 TACR1 (0.48) TACR1CCR5SLC6A4OPRD1OPRK1
SCHEMBL12290255 0.82 TACR1 (0.45) TACR1CCR5SLC6A4OPRD1OPRK1
SCHEMBL12290318 0.80 TACR1 (0.42) TACR1CCR5SLC6A4OPRD1OPRK1
SCHEMBL2431503 0.79 TACR1 (0.40) TACR1SLC6A4
SCHEMBL12290283 0.79 TACR1 (0.52) TACR1CCR5SLC6A4
SCHEMBL2426271 0.77 TACR1 (0.39) TACR1SLC6A4

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 835/4885CCR5 1343/4885SLC6A4 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.