SCHEMBL51885

SCHEMBL51885

OCC1CC(C=NO)CN(Cc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.45
FUCA1 P04066 2/20 0.44
CYP2D6 P10635 1/20 0.44
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CCR3 P51677 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL52572 1.00 GBA1 (0.45) GBA1FUCA1CYP2D6S1PR1S1PR5
SCHEMBL62324 1.00 GBA1 (0.45) GBA1FUCA1CYP2D6S1PR1S1PR5
SCHEMBL51884 1.00 GBA1 (0.45) GBA1FUCA1CYP2D6S1PR1S1PR5
SCHEMBL4058697 0.83 GBA1 (0.47) GBA1FUCA1CYP2D6S1PR1S1PR5
SCHEMBL87432 0.83 GBA1 (0.47) GBA1FUCA1CYP2D6S1PR1S1PR5
SCHEMBL63432 0.82 FUCA1 (0.58) GBA1FUCA1CYP2D6S1PR1S1PR5
SCHEMBL51716 0.82 FUCA1 (0.58) GBA1FUCA1CYP2D6S1PR1S1PR5
SCHEMBL3582865 0.81 FUCA1 (0.63) GBA1FUCA1CYP2D6S1PR1S1PR5
SCHEMBL27464149 0.77 BCHE (0.52) CYP2D6ALDH1A1CCR3BCHEACHE
SCHEMBL9635125 0.77 BCHE (0.52) CYP2D6ALDH1A1CCR3BCHEACHE

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
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-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG GBA1 2972/4885FUCA1 2329/4885CYP2D6 704/4885

“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.