SCHEMBL2806960

SCHEMBL2806960

CC(C)(C)OC(=O)c1cc2[nH]cc(Cl)c2cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 13/20 0.50
GABRB3 P28472 13/20 0.50
GABRA1 P14867 12/20 0.50
GABRA2 P47869 12/20 0.50
GABRA5 P31644 12/20 0.50
GABRA3 P34903 11/20 0.50
GABRA6 Q16445 10/20 0.50
GABRA4 P48169 5/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRE P78334 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50
GABRG3 Q99928 1/20 0.50
GABRQ Q9UN88 1/20 0.50
PRKAG1 P54619 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
NR4A2 P43354 1/20 0.35

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
SCHEMBL18508705 0.92 GABRA1 (0.41) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL18508704 0.85 GABRA1 (0.37) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL28007337 0.76 GABRG2 (0.43) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL3882051 0.74 DYRK1A (0.46) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL25087493 0.73 GABRG2 (0.46) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL2297259 0.72 GABRG2 (0.52) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL3918289 0.72 GABRA1 (0.54) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL2646157 0.68 SIRT6 (0.52) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL31515460 0.68 SIRT6 (0.52) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL8269421 0.68 TDO2 (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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 (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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 GABRG2 2764/4885GABRB3 2690/4885GABRA1 3416/4885

“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.