SCHEMBL4799545

SCHEMBL4799545

CCOC(=O)CN1C(=O)[C@@H](N)CCc2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 1/20 0.54
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 1/20 0.52
ACE P12821 3/20 0.50
ABCB11 O95342 1/20 0.50
AGTR2 P50052 1/20 0.50
PDE3A Q14432 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.49
DPP4 P27487 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NOTUM Q6P988 1/20 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
SCHEMBL7543359 1.00 GAA (0.56) GAACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL29833544 1.00 GAA (0.56) GAACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL7445733 0.93 GAA (0.52) GAACYP1A2CYP2C9CYP2C19MAPT
Cadaverine Tartrate SCHEMBL10907406 0.93 GAA (0.53) GAACYP1A2CYP2C9CYP2C19MAPT
Cadaverine Tartrate SCHEMBL4805487 0.93 GAA (0.53) GAACYP1A2CYP2C9CYP2C19MAPT
Cadaverine Tartrate SCHEMBL4805491 0.93 GAA (0.53) GAACYP1A2CYP2C9CYP2C19MAPT
Cadaverine Tartrate SCHEMBL10907408 0.93 GAA (0.53) GAACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL7438830 0.92 GAA (0.52) GAACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL7356369 0.88 OPRL1 (0.50) ACE
SCHEMBL2222575 0.88 OPRL1 (0.50) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425550-B2 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MEYERS SQUIBB COMPANY (US) 2008-09-16 US disclosed
US-7098235-B2 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds BRISTOL-MYERS SQUIBB CO. (US) 2006-08-29 US disclosed
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use SHER PHILIP 2006-06-15 US disclosed
US-7057046-B2 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-06 US disclosed
US-20040142938-A1 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 US disclosed
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY 2004-01-01 US disclosed
US-5679671-A ANGIOTENSIN 1-CONVERTING ENZYME INHIBITOR, VASOPRESSIN ANTAGONISM AND ATRIAL NAUTRIURETIC PEPTIDE HYDROLASE INHIBITOR EISAI CO., LTD. (JP) 1997-10-21 US disclosed
EP-0671172-A1 AMINO ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-09-13 EP disclosed
US-4575503-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR, HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1986-03-11 US disclosed
US-4473575-A ANGIOTENSIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1984-09-25 US disclosed
US-4410520-A ANGIOTENSION CONVERTING ENZYME INGIBITOR, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-10-18 US disclosed
EP-0072352-A1 Benzazepin-2-ones, process for their preparation, pharmaceutical preparations containing these compounds and the compounds for therapeutical use CIBA-GEIGY AG (CH) 1983-02-16 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 (3 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-20040142938-A1 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds PYGL, PNLIP, PYGM GAA 43/4885CYP1A2 710/4885CYP2C9 541/4885
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS2 GAA 23/4885CYP1A2 190/4885CYP2C9 292/4885
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS1 GAA 28/4885CYP1A2 342/4885CYP2C9 236/4885

“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.