SCHEMBL3876015

SCHEMBL3876015

COc1cccc(CNC[C@@H](O)[C@@H](N)Cc2ccc(Cl)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
BCHE P06276 1/20 0.52
ALDH1A1 P00352 1/20 0.50
CTSD P07339 5/20 0.49
BACE1 P56817 5/20 0.48
DNM1 Q05193 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
TAAR1 Q96RJ0 2/20 0.46

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
SCHEMBL5205801 1.00 LMNA (0.54) LMNAGAAHTTSMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL5220538 0.99 LMNA (0.53) LMNAGAAHTTSMN1; SMN2NPSR1
SCHEMBL4214871 0.91 BCHE (0.61) BCHECTSDBACE1DNM1
SCHEMBL165644 0.91 BCHE (0.61) BCHECTSDBACE1DNM1
Hydrochloric Acid SCHEMBL5219676 0.90 CHRM2 (0.50) LMNAGAAHTTSMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL6110582 0.90 BCHE (0.60) BCHECTSDBACE1DNM1
Hydrochloric Acid SCHEMBL5348922 0.90 BCHE (0.60) BCHECTSDBACE1DNM1
SCHEMBL3869254 0.87 BCHE (0.48) BCHECTSDBACE1DNM1TAAR1
Hydrochloric Acid SCHEMBL5223667 0.86 BCHE (0.47) BCHECTSDBACE1DNM1TAAR1
SCHEMBL3355576 0.84 BACE1 (0.57) CTSDBACE1

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
US-7557137-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-7557137-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-7557137-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-15 US disclosed
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-15 US disclosed
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-15 US disclosed
WO-2004013098-A1 NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 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-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BACE1, APP, BACE2 LMNA 995/4885GAA 67/4885HTT 1608/4885

“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.