SCHEMBL3674153

SCHEMBL3674153

C[SiH](C)OC(N1CCCC1=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34

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
SCHEMBL21950819 1.00 LMNA (0.38) LMNACA12CA1CA2CA3
SCHEMBL9739418 0.95 LMNA (0.34) LMNACA12CA1CA2CA3
SCHEMBL12489719 0.71 LMNA (0.44) LMNACA12CA1CA2CA3
SCHEMBL19407089 0.69 LMNA (0.43) LMNACA12CA1CA2CA3
SCHEMBL10581989 0.69
SCHEMBL20900421 0.68 LMNA (0.42) LMNACA12CA1CA2CA3
SCHEMBL19866030 0.67 LMNA (0.45) LMNACA12CA1CA2CA3
SCHEMBL12548433 0.67 LMNA (0.53) LMNACA12CA1CA2CA3
SCHEMBL24568172 0.66 LMNA (0.47) LMNACA12CA1CA2CA3
SCHEMBL12156957 0.66 LMNA (0.47) LMNACA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317013-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF BILLOT XAVIER (CA) 2013-11-28 US disclosed
EP-1513589-B1 1,5-DISUBSTITUTED PYRROLID-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TREATMENT OF EYE DISEASES SUCH AS GLAUCOMA MERCK FROSST CANADA LTD (CA) 2010-11-10 EP disclosed
US-20090258918-A1 EP4 receptor agonist, compositions and methods thereof BILLOT XAVIER 2009-10-15 US disclosed
US-20050239872-A1 1,5-distributed pyrrolid-2-one derivatives for use as ep4 receptor agonists in the teatment of eye diseases such as glaucoma MERCK FROSST CANADA LTD. (CA) 2005-10-27 US disclosed
EP-1453503-A4 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK & CO INC (US) 2005-03-30 EP disclosed
EP-1513589-A1 1,5-DISUBSTITUTED PYRROLID-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TREATMENT OF EYE DISEASES SUCH AS GLAUCOMA MERCK FROSST CANADA INC. (CA) 2005-03-16 EP disclosed
US-20040204590-A1 Ep4 receptor agonist, compositions and methods thereof MERCK FROSST CANADA LTD. (CA) 2004-10-14 US disclosed
EP-1453503-A2 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF Merck & Co., Inc. (US) 2004-09-08 EP disclosed
WO-2003103772-A1 1,5-DISTRIBUTED PYRROLID-2-ONE DERIVATIVES FOR USE AS EP4 RECEPTOR AGONISTS IN THE TEATMENT OF EYE DISEASES SUCH AS GLAUCOMA MERCK FROSST CANADA & CO. (CA) 2003-12-18 WO disclosed
WO-2003047417-A2 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK & CO., INC. (US) 2003-06-12 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 (4 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-20050239872-A1 1,5-distributed pyrrolid-2-one derivatives for use as ep4 receptor agonists in the teatment of eye diseases such as glaucoma PTGER1, PTGER4, PTGER2 LMNA 3587/4885CA12 4821/4885CA1 4853/4885
US-20040204590-A1 Ep4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 LMNA 2677/4885CA12 4362/4885CA1 4065/4885
US-20090258918-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 LMNA 2379/4885CA12 4491/4885CA1 4733/4885
US-20130317013-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF PTGER4, PTGER1, PTGER3 LMNA 2379/4885CA12 4491/4885CA1 4733/4885

“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.