SCHEMBL440559

SCHEMBL440559

Cc1ncc(C(=O)N2CCC(=O)CC2)c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.42
HSP90AB1 P08238 1/20 0.42
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.40
HSP90B1 P14625 1/20 0.40
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
PIK3C3 Q8NEB9 3/20 0.37
ALDH1A1 P00352 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
SCHEMBL17721301 0.81 HSP90AA1 (0.40) HSP90AA1HSP90AB1LMNATHRBHSP90B1
SCHEMBL19968019 0.75 HSP90AA1 (0.40) HSP90AA1LMNATHRBSMN1; SMN2TRPV4
SCHEMBL29405584 0.75 HSP90AA1 (0.40) HSP90AA1LMNATHRBSMN1; SMN2TRPV4
SCHEMBL411762 0.72 CCR5 (0.46)
SCHEMBL27531647 0.70 ALDH1A1 (0.47) LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL1434641 0.69 HPGD (0.61) LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL11721563 0.69 SMN1; SMN2 (0.56) LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL1929985 0.68 HTT (0.70) POLBALDH1A1
Ethylene SCHEMBL8517648 0.68 ALDH1A1 (0.45) LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL12272538 0.68 NNMT (0.46) LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065397-A1 PREPARATION OF KETONE AMIDES Scherimg Corporation (US) 2012-03-15 US disclosed
US-20120065397-A1 PREPARATION OF KETONE AMIDES Scherimg Corporation (US) 2012-03-15 US disclosed
CN-101133046-B Preparation of ketoamides SCHERING CORP 2011-08-03 CN disclosed
CN-101133046-B Preparation of ketoamides SCHERING CORP 2011-08-03 CN disclosed
JP-2011102328-A PREPARATION OF KETONE AMIDE SCHERING CORP 2011-05-26 JP disclosed
US-7759487-B2 Preparation of ketone amides SCHERING CORPORATION (US) 2010-07-20 US disclosed
US-7759487-B2 Preparation of ketone amides SCHERING CORPORATION (US) 2010-07-20 US disclosed
US-20100029939-A1 PREPARATION OF KETONE AMIDES SCHERING CORPORATION 2010-02-04 US disclosed
US-20100029939-A1 PREPARATION OF KETONE AMIDES SCHERING CORPORATION 2010-02-04 US disclosed
CN-101133046-A Preparation of ketoamides SCHERING CORP (US) 2008-02-27 CN disclosed
CN-101133046-A Preparation of ketoamides SCHERING CORP (US) 2008-02-27 CN disclosed
EP-1838695-A2 PREPARATION OF KETONE AMIDES Shering Corporation (US) 2007-10-03 EP disclosed
EP-1838695-A2 PREPARATION OF KETONE AMIDES Shering Corporation (US) 2007-10-03 EP disclosed
WO-2006074264-A3 PREPARATION OF KETONE AMIDES SCHERING CORP (US) 2006-11-02 WO disclosed
US-20060247437-A1 Preparation of ketone amides SCHERING CORPORATION 2006-11-02 US disclosed
US-20060247437-A1 Preparation of ketone amides SCHERING CORPORATION 2006-11-02 US disclosed
WO-2006074264-A2 PREPARATION OF KETONE AMIDES SCHERING CORPORATION (US) 2006-07-13 WO disclosed
WO-2006074264-A2 PREPARATION OF KETONE AMIDES SCHERING CORPORATION (US) 2006-07-13 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 (3 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-20060247437-A1 Preparation of ketone amides CCR5, CCR2, ACKR3 HSP90AA1 4020/4885HSP90AB1 4027/4885LMNA 4444/4885
US-20100029939-A1 PREPARATION OF KETONE AMIDES CCR5, CCR2, ACKR3 HSP90AA1 4020/4885HSP90AB1 4027/4885LMNA 4444/4885
US-20120065397-A1 PREPARATION OF KETONE AMIDES CCR5, CCR2, ACKR3 HSP90AA1 4020/4885HSP90AB1 4027/4885LMNA 4444/4885

“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.