SCHEMBL2976152

SCHEMBL2976152

C=CCO[C@H]1C[C@H](NC(=O)C(F)(F)F)c2cc(OC)ccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
MTNR1A P48039 13/20 0.43
MTNR1B P49286 13/20 0.43
NQO2 P16083 8/20 0.43
HTT P42858 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2976149 1.00 LMNA (0.52) LMNAGAAMTNR1AMTNR1BNQO2
SCHEMBL2978241 1.00 LMNA (0.52) LMNAGAAMTNR1AMTNR1BNQO2
SCHEMBL2976156 1.00 LMNA (0.52) LMNAGAAMTNR1AMTNR1BNQO2
SCHEMBL5108942 1.00 LMNA (0.52) LMNAGAAMTNR1AMTNR1BNQO2
SCHEMBL2972004 0.87 LMNA (0.36) LMNAGAAHTTNCOA1NCOA3
SCHEMBL2980526 0.85 LMNA (0.34) LMNAGAAHTTNCOA1NCOA3
SCHEMBL2982217 0.84 LMNA (0.50) LMNAGAAMTNR1AMTNR1BNQO2
SCHEMBL2972030 0.82 LMNA (0.53) LMNAGAAMTNR1AMTNR1BNQO2
SCHEMBL2978049 0.80 LMNA (0.51) LMNAGAAMTNR1AMTNR1BNQO2
SCHEMBL1686373 0.80 LMNA (0.62) LMNAGAAMTNR1AMTNR1BNQO2

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-7772221-B2 Diaminopropane derived macrocycles as inhibitors of β amyloid production BRISTOL-MEYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 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-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION APP, BACE1, BACE2 LMNA 489/4885GAA 418/4885MTNR1A 3729/4885

“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.