Sugi Predict

Sugi Predict / Compounds / SCHEMBL7874370

SCHEMBL7874370

SCHEMBL7874370

CC(C)C1CCC(CC(N)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.39
▸ EPHX1 P07099 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ ANPEP P15144 1/20 0.34
▸ ENPEP Q07075 1/20 0.34
▸ DGAT1 O75907 2/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ SOAT1 P35610 1/20 0.34
▸ OPRL1 P41146 4/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ SLC1A3 P43003 2/20 0.32
▸ SLC1A2 P43004 2/20 0.32
▸ SLC1A1 P43005 2/20 0.32

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
SCHEMBL10232821 1.00 ALOX5 (0.39) ALOX5EPHX1TDP1ANPEPENPEP
SCHEMBL10232826 1.00 ALOX5 (0.39) ALOX5EPHX1TDP1ANPEPENPEP
SCHEMBL27726415 0.83 ROCK2 (0.34) ALOX5TDP1ANPEPENPEPROCK2
SCHEMBL303265 0.82 — —
SCHEMBL1896079 0.82 TDP1 (0.46) ALOX5EPHX1TDP1ANPEPENPEP
SCHEMBL25011364 0.81 EPHX1 (0.36) ALOX5EPHX1
SCHEMBL939910 0.81 ANPEP (0.47) TDP1ANPEPENPEPROCK2ROCK1
SCHEMBL939908 0.81 ANPEP (0.47) TDP1ANPEPENPEPROCK2ROCK1
SCHEMBL10232799 0.81 ANPEP (0.47) TDP1ANPEPENPEPROCK2ROCK1
SCHEMBL15080323 0.81 ROCK2 (0.33) ALOX5TDP1ANPEPENPEPROCK2

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-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 — — US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — WO disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 — — US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 — — 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 (4 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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ALOX5 1699/4885EPHX1 2236/4885TDP1 1627/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ALOX5 1699/4885EPHX1 2236/4885TDP1 1627/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 ALOX5 1699/4885EPHX1 2236/4885TDP1 1627/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR ALOX5 2287/4885EPHX1 4000/4885TDP1 1344/4885

“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.