Sugi Predict

Sugi Predict / Compounds / SCHEMBL3337871

SCHEMBL3337871

SCHEMBL3337871

COC(=O)C1COCC(=O)N1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 3/20 0.57
▸ FKBP1A P62942 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL10270030 1.00 P2RX7 (0.57) P2RX7FKBP1AALDH1A1TDP1KMT2A
SCHEMBL337237 0.87 P2RX7 (0.53) P2RX7ALDH1A1KMT2AMEN1
SCHEMBL10215490 0.86 P2RX7 (0.56) P2RX7ALDH1A1TDP1KMT2AMEN1
SCHEMBL1005866 0.86 P2RX7 (0.58) P2RX7KMT2AMEN1HCRTR1HCRTR2
SCHEMBL311394 0.86 P2RX7 (0.58) P2RX7KMT2AMEN1HCRTR1HCRTR2
SCHEMBL1190522 0.86 P2RX7 (0.58) P2RX7KMT2AMEN1HCRTR1HCRTR2
SCHEMBL6179972 0.85 P2RX7 (0.57) P2RX7ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6179978 0.85 P2RX7 (0.57) P2RX7ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3333492 0.84 P2RX7 (0.56) P2RX7KMT2AMEN1HCRTR1HCRTR2
SCHEMBL2907566 0.83 P2RX7 (0.53) P2RX7KMT2AMEN1SMN1; SMN2HCRTR1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144727-A1 Oxazolidine and Morpholine Carboxamide Derivatives as P2X7 Modulators BESWICK PAUL JOHN 2010-06-10 — — US disclosed
EP-2139875-A2 OXAZOLIDINE AND MORPHOLINE CARBOXAMIDE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2010-01-06 — — EP disclosed
WO-2008119685-A2 OXAZOLIDINE AND MORPHOLINE CARBOXAMIDE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2008-10-09 — — WO disclosed
EP-1754703-A2 N-Heterocyclic derivatives as nos inhibitors Berlex, Inc. (US) 2007-02-21 — — EP disclosed
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 — — EP disclosed
EP-0968206-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LAB (US) 2006-11-15 — — EP disclosed
US-6887865-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-05-03 — — US disclosed
US-6864368-B2 N-heterocyclic derivatives as NOS inhibitors BERLAX LABORATORIES, INC. (US) 2005-03-08 — — US disclosed
US-6864263-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-03-08 — — US disclosed
US-6849739-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-02-01 — — US disclosed
US-20030073669-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-04-17 — — US disclosed
US-20030069210-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-04-10 — — US disclosed
US-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-03-27 — — US disclosed
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-02-06 — — US disclosed
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-01-02 — — US disclosed
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-12-05 — — US disclosed
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-11-07 — — US disclosed
US-6432947-B1 NERVOUS SYSTEM DISORDERS; MUSCLE RELAXANTS; ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2002-08-13 — — US disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 — — EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 — — WO 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 (8 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-20030073669-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 P2RX7 2327/4885FKBP1A 1532/4885ALDH1A1 328/4885
US-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 P2RX7 2327/4885FKBP1A 1532/4885ALDH1A1 328/4885
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 P2RX7 2327/4885FKBP1A 1532/4885ALDH1A1 328/4885
US-20100144727-A1 Oxazolidine and Morpholine Carboxamide Derivatives as P2X7 Modulators P2RX5, P2RX3, P2RX7 P2RX7 3/4885FKBP1A 1699/4885ALDH1A1 2577/4885
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 P2RX7 2327/4885FKBP1A 1532/4885ALDH1A1 328/4885
US-20030069210-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 P2RX7 2327/4885FKBP1A 1532/4885ALDH1A1 328/4885
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 P2RX7 2327/4885FKBP1A 1532/4885ALDH1A1 328/4885
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 P2RX7 2327/4885FKBP1A 1532/4885ALDH1A1 328/4885

“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.