SCHEMBL3677750

SCHEMBL3677750

COc1ccc(CN2C(=O)CC[C@@H]2CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 11/20 0.53
HCRTR1 O43613 10/20 0.53
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
CMA1 P23946 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SPHK2 Q9NRA0 1/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 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
SCHEMBL6449877 1.00 HCRTR2 (0.53) HCRTR2HCRTR1KMT2AMEN1CMA1
SCHEMBL7504824 1.00 HCRTR2 (0.53) HCRTR2HCRTR1KMT2AMEN1CMA1
SCHEMBL4574022 0.92 HCRTR1 (0.57) HCRTR2HCRTR1SPHK2
SCHEMBL4574026 0.92 HCRTR1 (0.57) HCRTR2HCRTR1SPHK2
SCHEMBL9634759 0.84 HCRTR2 (0.51) HCRTR2HCRTR1KMT2AMEN1CMA1
SCHEMBL20719766 0.83 HCRTR2 (0.55) HCRTR2HCRTR1KMT2AMEN1CMA1
SCHEMBL16057511 0.83 KMT2A (0.47) HCRTR2HCRTR1KMT2ACMA1GAA
SCHEMBL27939968 0.83 HCRTR2 (0.50) HCRTR2HCRTR1KMT2AMEN1CMA1
SCHEMBL16088788 0.83 KMT2A (0.47) HCRTR2HCRTR1KMT2ACMA1GAA
SCHEMBL27939958 0.83 HCRTR2 (0.50) HCRTR2HCRTR1KMT2AMEN1CMA1

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
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-20090258918-A1 EP4 receptor agonist, compositions and methods thereof BILLOT XAVIER 2009-10-15 US disclosed
US-20090258918-A1 EP4 receptor agonist, compositions and methods thereof BILLOT XAVIER 2009-10-15 US disclosed
US-20060167081-A1 Ep4 receptor agonists MERCK FROSST CANADA LTD. (CA) 2006-07-27 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-1558602-A2 2-PYRROLIDONES AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA INC. (CA) 2005-08-03 EP disclosed
WO-2004037786-A2 2-PYRROLIDONES AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA & CO. (CA) 2004-05-06 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 HCRTR2 510/4885HCRTR1 1078/4885KMT2A 4294/4885
US-20060167081-A1 Ep4 receptor agonists PTGER4, PTGER1, PTGER3 HCRTR2 270/4885HCRTR1 420/4885KMT2A 2637/4885
US-20090258918-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 HCRTR2 387/4885HCRTR1 563/4885KMT2A 3696/4885
US-20130317013-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF PTGER4, PTGER1, PTGER3 HCRTR2 387/4885HCRTR1 563/4885KMT2A 3696/4885

“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.