SCHEMBL2525910

SCHEMBL2525910

C=CCOc1cc(CC(NC(C)=O)C(=O)OCC)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.43
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 3/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 2/20 0.38
CYP2D6 P10635 1/20 0.37
DRD1 P21728 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
SCHEMBL8260495 0.82 ITGB3 (0.47) TACR1MAPT
SCHEMBL2521344 0.82 ITGB3 (0.47) TACR1MAPT
SCHEMBL27552219 0.78 TACR1 (0.61) TACR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL27478279 0.78 TACR1 (0.61) TACR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL2528613 0.78 KLK5 (0.46) ALDH1A1MAPT
SCHEMBL2528611 0.78 KLK5 (0.46) ALDH1A1MAPT
SCHEMBL2530146 0.76 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL8410995 0.76 TACR1 (0.44) TACR1ALDH1A1LMNAKMT2AMAPT
SCHEMBL6371364 0.75 TACR1 (0.53) TACR1ALDH1A1KMT2AMAPT
SCHEMBL27478679 0.75 TACR1 (0.53) TACR1ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039455-B2 Macrocyclic compounds useful as BACE inhibitors NOVARTIS AG (CH) 2011-10-18 US disclosed
US-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS NOVARTIS AG (CH) 2009-01-29 US disclosed
CN-101351455-A Macrocyclic compounds useful as BACE inhibitors NOVARTIS AG (CH) 2009-01-21 CN disclosed
EP-1968954-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077004-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-07-12 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-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS SLC10A2, SLC10A1, ASAH2 TACR1 2992/4885ALDH1A1 2955/4885LMNA 1336/4885

“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.