SCHEMBL4046183

SCHEMBL4046183

CCCCNC(=O)N(C(=O)CC#N)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
EPHX1 P07099 11/20 0.38
MCL1 Q07820 1/20 0.37
DPP4 P27487 1/20 0.37
EPHX2 P34913 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 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
SCHEMBL14565979 0.86 MCL1 (0.49) EPHX1MCL1DPP4KMT2ACTSB
SCHEMBL3261774 0.79 NAAA (0.46) NAAAEPHX1EPHX2MEN1KMT2A
SCHEMBL30942751 0.76 MEN1 (0.37) MEN1KMT2ACTSSCTSK
SCHEMBL10536742 0.73 NAAA (0.50) NAAAEPHX1EPHX2MEN1KMT2A
SCHEMBL5076250 0.73 MCL1 (0.42) EPHX1MCL1
SCHEMBL4049386 0.71 MCL1 (0.39) MCL1DPP4MEN1KMT2ACTSB
SCHEMBL9547591 0.71 NAAA (0.47) NAAAEPHX1EPHX2MEN1KMT2A
SCHEMBL5439490 0.70 NAAA (0.51) NAAAEPHX1EPHX2
SCHEMBL3482966 0.70 NAAA (0.43) NAAAEPHX1EPHX2MEN1KMT2A
SCHEMBL7781007 0.69 MCL1 (0.43) NAAAEPHX1MCL1DPP4CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713815-A4 PTH AGONISTS SMITHKLINE BEECHAM CORP (US) 2009-03-11 EP disclosed
US-20070099940-A1 Pth agonists SPEARING PAUL K 2007-05-03 US disclosed
EP-1713815-A1 PTH AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP disclosed
WO-2005077959-A1 PTH AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 (1 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-20070099940-A1 Pth agonists PTH1R, CALCR, SSTR3 NAAA 2914/4885EPHX1 2807/4885MCL1 3556/4885

“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.