SCHEMBL1647112

SCHEMBL1647112

CN(C)C(=O)CC(CC(=O)O)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.42
GABBR1 Q9UBS5 4/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
NFKB1 P19838 1/20 0.42
DRD3 P35462 1/20 0.42
BLM P54132 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL11229344 0.86 GABBR2 (0.53) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL13564512 0.79 FFAR1 (0.57) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL6379988 0.79 FFAR1 (0.57) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL1646356 0.78 L3MBTL1 (0.54) LMNACYP2C9CYP2C19KMT2AMAPT
SCHEMBL16249736 0.78 GABBR2 (0.61) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL3665382 0.76 FOLH1 (0.47) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL3872457 0.76 ESR1 (0.59) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL3724690 0.76 ESR1 (0.59) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL3879432 0.76 ESR1 (0.59) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL28801346 0.75 GABBR2 (0.72) GABBR2GABBR1LMNACYP2C9CYP3A4

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-20120208882-A1 Organic Compounds DANAHAY HENRY LUKE (GB) 2012-08-16 US disclosed
EP-2305639-A2 Organic compounds Novartis AG (CH) 2011-04-06 EP disclosed
EP-2253612-A1 Organic compounds Novartis AG (CH) 2010-11-24 EP disclosed
US-20090203777-A1 ORGANIC COMPOUNDS MAAS, JANET CATHERINE (GB) 2009-08-13 US disclosed
EP-1874726-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-01-09 EP disclosed
WO-2006108643-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-10-19 WO disclosed
US-4021472-A ANTIPLASMIN AND ANTITRYPSIN ONO PHARMACEUTICAL CO., LTD. (JA) 1977-05-03 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 (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-20120208882-A1 Organic Compounds CFTR, OTC, ASIC1 GABBR2 577/4885GABBR1 702/4885LMNA 4105/4885
US-20090203777-A1 ORGANIC COMPOUNDS CFTR, OTC, ASIC1 GABBR2 577/4885GABBR1 702/4885LMNA 4105/4885

“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.