SCHEMBL4081097

SCHEMBL4081097

CC(C)C1CCCN1C#N

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSH P09668 2/20 0.38
CTSK P43235 2/20 0.38
UCHL1 P09936 3/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
DPP4 P27487 4/20 0.33
HRH3 Q9Y5N1 1/20 0.32
USP30 Q70CQ3 3/20 0.31

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
SCHEMBL4158227 0.78 AR (0.33) AR
SCHEMBL11642411 0.77
SCHEMBL4758775 0.71 CTSL (0.31) CTSLCTSBCTSHCTSK
SCHEMBL23942057 0.70
SCHEMBL31288014 0.70
SCHEMBL8065247 0.70
SCHEMBL1615410 0.67
SCHEMBL6891743 0.67
SCHEMBL2756894 0.67
SCHEMBL4080897 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215761-A1 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
EP-1874731-A4 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS INC (US) 2009-08-05 EP disclosed
US-7402579-B2 Quinobenzoxazine analogs and compositions CYLENE PHARMACEUTICALS, INC. (US) 2008-07-22 US disclosed
EP-1874731-A2 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF Cylene Pharmaceuticals, Inc. (US) 2008-01-09 EP disclosed
US-20060264634-A1 Quinobenzoxazine analogs and methods of using thereof CYLENE PHARMACEUTICALS, INC. 2006-11-23 US disclosed
WO-2006113509-A2 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2006-10-26 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 (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-20060264634-A1 Quinobenzoxazine analogs and methods of using thereof CYP2W1, NQO2, UGT2B7 AR 2585/4885CTSL 345/4885CTSB 213/4885
US-20090215761-A1 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYP2W1, NQO2, UGT2B7 AR 2585/4885CTSL 345/4885CTSB 213/4885

“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.