SCHEMBL2993689

SCHEMBL2993689

CC(=O)N(c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
GPR119 Q8TDV5 10/20 0.47
MMP13 P45452 1/20 0.46
POLB P06746 1/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44

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
SCHEMBL25389387 0.86 MEN1 (0.68) MEN1KMT2AGPR119MMP13POLB
SCHEMBL16422601 0.85 MEN1 (0.67) MEN1KMT2AGPR119MMP13POLB
SCHEMBL5366519 0.84 KMT2A (0.82) MEN1KMT2AGPR119
SCHEMBL2775753 0.83 MEN1 (0.64) MEN1KMT2AGPR119MMP13
SCHEMBL18263728 0.82 MEN1 (0.72) MEN1KMT2AGPR119MMP13
SCHEMBL14095013 0.82 MEN1 (0.63) MEN1KMT2AGPR119POLBPTPN2
SCHEMBL18129164 0.81 MEN1 (0.62) MEN1KMT2AGPR119MMP13
SCHEMBL4312794 0.81 MEN1 (0.62) MEN1KMT2AGPR119MMP13
SCHEMBL847786 0.81 MEN1 (0.53) MEN1KMT2AGPR119
SCHEMBL31023770 0.80 MEN1 (0.61) MEN1KMT2AGPR119MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-7786308-B2 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20080090826-A9 Muscarinic modulators VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2008-04-17 US disclosed
US-20080090826-A9 Muscarinic modulators VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2008-04-17 US disclosed
US-20080090826-A9 Muscarinic modulators VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2008-04-17 US disclosed
EP-1863490-A2 MUSCARINIC MODULATORS Vertex Pharmaceuticals Incorporated (US) 2007-12-12 EP disclosed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US disclosed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US disclosed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US disclosed
WO-2006105035-A2 MUSCARINIC MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-10-05 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-20070054911-A1 Muscarinic modulators CHRM3, CHRM5, CHRM4 MEN1 1932/4885KMT2A 1991/4885GPR119 94/4885
US-20080090826-A9 Muscarinic modulators CHRM3, CHRM5, CHRM4 MEN1 1932/4885KMT2A 1991/4885GPR119 94/4885

“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.