SCHEMBL2985134

SCHEMBL2985134

C=CCOC(=O)N1CC[CH]CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
GPR119 Q8TDV5 1/20 0.38
CYP3A4 P08684 1/20 0.38
SLC6A15 Q9H2J7 1/20 0.37
ERN1 O75460 8/20 0.36
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRM1 P11229 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABL1 P00519 1/20 0.33
MAPT P10636 1/20 0.33
RIN1 Q13671 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5196825 0.89 LMNA (0.41) LMNAMAPK1RAB9AGPR119CYP3A4
SCHEMBL4195614 0.82 LMNA (0.46) LMNAMAPK1RAB9AGPR119CYP3A4
SCHEMBL9191402 0.81 LMNA (0.42) LMNAMAPK1RAB9AGPR119CYP3A4
SCHEMBL3997516 0.81 LMNA (0.45) LMNAMAPK1RAB9AGPR119CYP3A4
SCHEMBL3992214 0.81 LMNA (0.45) LMNAMAPK1RAB9AGPR119CYP3A4
SCHEMBL12551267 0.80 RAB9A (0.42) LMNAMAPK1RAB9AGPR119CYP3A4
SCHEMBL9625561 0.78 ERN1 (0.43) LMNAMAPK1RAB9AGPR119CYP3A4
SCHEMBL9342278 0.78 MAPK1 (0.46) LMNAMAPK1RAB9ASLC6A15TSHR
SCHEMBL1780077 0.78 LMNA (0.43) LMNAMAPK1RAB9AGPR119CYP3A4
SCHEMBL8665411 0.78 TSHR (0.59) LMNAMAPK1RAB9AGPR119TSHR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786107-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US claimed
EP-2040706-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2009-04-01 EP claimed
US-20080033002-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-02-07 US claimed
WO-2008005295-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-10 WO claimed
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US claimed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US claimed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP claimed
CN-1150950-A Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1997-06-04 CN claimed
EP-0761673-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP claimed
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 US disclosed
US-7786107-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20100063021-A9 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2010-03-11 US disclosed
EP-2051715-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2009-04-29 EP disclosed
EP-2040706-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2009-04-01 EP disclosed
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP disclosed
US-5804577-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1998-09-08 US disclosed
CN-1150950-A Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1997-06-04 CN disclosed
EP-0761673-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP 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-20100063021-A9 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 LMNA 4093/4885MAPK1 2911/4885RAB9A 1944/4885
US-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR LMNA 1460/4885MAPK1 2174/4885RAB9A 4502/4885
US-20080033002-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 LMNA 4093/4885MAPK1 2911/4885RAB9A 1944/4885

“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.