SCHEMBL87316

SCHEMBL87316

CC(C)(CCC1CC(C=O)CN(Cc2ccccc2)C1)[Si](C)(C)O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
ACHE P22303 9/20 0.35
BCHE P06276 4/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL13691569 0.84 GBA1 (0.40) FUCA1S1PR1S1PR5ACHEBCHE
SCHEMBL51682 0.80 BCHE (0.36) FUCA1S1PR1S1PR5ACHEBCHE
SCHEMBL62328 0.80 BCHE (0.36) FUCA1S1PR1S1PR5ACHEBCHE
SCHEMBL4058697 0.77 GBA1 (0.47) FUCA1S1PR1S1PR5ACHEBCHE
SCHEMBL27704477 0.72 FUCA1 (0.55) FUCA1S1PR1S1PR5ACHE
SCHEMBL27783471 0.72 HRH3 (0.53) FUCA1S1PR1S1PR5ACHE
SCHEMBL27783472 0.72 HRH3 (0.53) FUCA1S1PR1S1PR5ACHE
SCHEMBL13107603 0.69 CCR3 (0.49) ACHEBCHE
SCHEMBL13221838 0.69 CCR3 (0.49) ACHEBCHE
SCHEMBL13003723 0.66 CCR3 (0.55) ACHEBCHE

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-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG FUCA1 2329/4885S1PR1 4182/4885S1PR5 4454/4885

“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.