SCHEMBL951889

SCHEMBL951889

CCC(=O)[N]N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
RECQL P46063 1/20 0.42
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL5902392 0.78 KMT2A (0.35) HTTALDH1A1KMT2APOLBRAB9A
SCHEMBL1455628 0.76 TSHR (0.56) TSHRRECQLHTTALDH1A1LMNA
SCHEMBL5274851 0.76 SMN1; SMN2 (0.48) TSHRRECQLHTTALDH1A1KMT2A
SCHEMBL7976882 0.75 HTT (0.55) TSHRRECQLHTTALDH1A1LMNA
SCHEMBL7963375 0.72 HTT (0.45) TSHRRECQLHTTALDH1A1LMNA
SCHEMBL4160204 0.71 KDM4E (0.45) TSHRHTTLMNAKMT2AMAPT
SCHEMBL15865997 0.71 TSHR (0.41) TSHRRECQLHTTALDH1A1LMNA
SCHEMBL3294651 0.68 SMN1; SMN2 (0.35) TSHRALDH1A1LMNAKMT2ARAB9A
SCHEMBL1456109 0.67 L3MBTL1 (0.59) TSHRRECQLHTTALDH1A1LMNA
SCHEMBL37276 0.67 L3MBTL1 (0.59) TSHRRECQLHTTALDH1A1LMNA

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
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
US-4742057-A Antiallergic thiazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-03 US disclosed
EP-0224919-A2 New thiazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-10 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 TSHR 1608/4885RECQL 4637/4885HTT 2250/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 TSHR 2433/4885RECQL 1152/4885HTT 75/4885

“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.