SCHEMBL1561376

SCHEMBL1561376

C[C@@H](Oc1ccccc1N)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.41
PPARA Q07869 5/20 0.40
PPARG P37231 4/20 0.40
CTSK P43235 5/20 0.39
CTSS P25774 4/20 0.39
ATM Q13315 1/20 0.39
ACE P12821 1/20 0.39
PPARD Q03181 2/20 0.38
KMT2A Q03164 1/20 0.38
TRPA1 O75762 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL8904987 1.00 APP (0.41) APPPPARAPPARGCTSKCTSS
SCHEMBL7350485 1.00 APP (0.41) APPPPARAPPARGCTSKCTSS
SCHEMBL8904990 1.00 APP (0.41) APPPPARAPPARGCTSKCTSS
SCHEMBL27397525 1.00 APP (0.41) APPPPARAPPARGCTSKCTSS
SCHEMBL8904200 0.86 TRPA1 (0.40) APPCTSKCTSSACETRPA1
SCHEMBL1562328 0.86 TRPA1 (0.40) CTSKCTSSACETRPA1
SCHEMBL8905741 0.86 TRPA1 (0.40) CTSKCTSSACETRPA1
SCHEMBL8905745 0.86 TRPA1 (0.40) CTSKCTSSACETRPA1
SCHEMBL8904204 0.86 TRPA1 (0.40) APPCTSKCTSSACETRPA1
SCHEMBL27452074 0.86 TRPA1 (0.40) APPCTSKCTSSACETRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394263-B2 Substituted hetero-azepinones F. HOFFMANN-LA ROCHE AG (CH) 2016-07-19 US disclosed
US-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES HOFFMAN-LA ROCHE INC. (US) 2015-12-17 US disclosed
EP-2882725-A1 SUBSTITUTED HETERO-AZEPINONES F. Hoffmann-La Roche AG (CH) 2015-06-17 EP disclosed
WO-2014023708-A1 SUBSTITUTED HETERO-AZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2014-02-13 WO disclosed
EP-1828151-B1 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2011-04-06 EP disclosed
EP-1828151-A2 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2007-09-05 EP disclosed
US-7211573-B2 Malonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
WO-2006061136-A2 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 WO disclosed
US-20060122168-A1 Malonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US disclosed
US-5859239-A Mercaptoalkanoylamino and acylmercaptoalkanoylamino benzoxazepines and benzothiazepines E. R. SQUIBB & SONS, INC. (US) 1999-01-12 US disclosed
US-5856476-A Processes for preparing azepiones useful as intermediates in the preparation of inhibitors of angiotensin converting enzyme and neutral endopeptidase E. R. SQUIBBS & SONS, INC. (US) 1999-01-05 US disclosed
US-5723602-A ANGIOTENSIN CONVERTING ENZYME AND ENDOPEPTIDASE INHIBITORS, CARDIOVASCULAR DISORDERS E. R. SQUIBB & SONS, INC. (US) 1998-03-03 US disclosed
US-5723457-A COMPOUMDS FOR CARDIOVASCULAR DISORDERS AND INHIBITORS OF ANGIOTENSIN CONVERTING ENZYMES E. R. SQUIBB & SONS, INC. (US) 1998-03-03 US disclosed
EP-0599444-B1 Dual action inhibitors SQUIBB & SONS INC (US) 1998-01-28 EP disclosed
US-5654294-A CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB (US) 1997-08-05 US disclosed
EP-0783002-A2 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-07-09 EP disclosed
US-5646276-A ANGIOTENSIN CONVERTING ENZYME AND NEUTRAL ENDOPEPTIDASE INHIBITORS; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-08 US disclosed
US-5552397-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-09-03 US disclosed
EP-0599444-A1 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-06-01 EP 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 (2 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-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES CCNY, CCNE1, CCND3 APP 4820/4885PPARA 4177/4885PPARG 3108/4885
US-20060122168-A1 Malonamide derivatives ACE, REN, ME1 APP 8/4885PPARA 2610/4885PPARG 3564/4885

“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.