SCHEMBL51914

SCHEMBL51914

CC(C)(C)[Si](C)(C)OCC1CC(CO)CN(Cc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.40
CYP2D6 P10635 1/20 0.40
FUCA1 P04066 2/20 0.40
BCHE P06276 3/20 0.37
ACHE P22303 3/20 0.37
MAOB P27338 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
S1PR1 P21453 2/20 0.36
S1PR5 Q9H228 2/20 0.36
S1PR4 O95977 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 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
SCHEMBL63254 1.00 GBA1 (0.40) GBA1CYP2D6FUCA1BCHEACHE
SCHEMBL62328 0.84 BCHE (0.36) FUCA1BCHEACHEMAOBS1PR1
SCHEMBL51682 0.84 BCHE (0.36) FUCA1BCHEACHEMAOBS1PR1
SCHEMBL19181580 0.82 GBA1 (0.41) GBA1FUCA1SIGMAR1S1PR1S1PR5
SCHEMBL4110162 0.81 CCR3 (0.48) BCHEACHESIGMAR1
SCHEMBL51716 0.80 FUCA1 (0.58) GBA1CYP2D6FUCA1SIGMAR1S1PR1
SCHEMBL21193584 0.80 MEN1 (0.43) CYP2D6
SCHEMBL63432 0.80 FUCA1 (0.58) GBA1CYP2D6FUCA1SIGMAR1S1PR1
SCHEMBL13691569 0.79 GBA1 (0.40) GBA1CYP2D6FUCA1BCHEACHE
SCHEMBL4759089 0.77 RORC (0.45) GBA1FUCA1ACHESIGMAR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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 GBA1 2972/4885CYP2D6 704/4885FUCA1 2329/4885

“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.