SCHEMBL9900730

SCHEMBL9900730

N#Cc1ccc(C2(NC(=O)O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.40
CXCR3 P49682 1/20 0.39
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
PGR P06401 3/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
NLRP3 Q96P20 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2A6 P11509 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL1608427 0.93 VNN1 (0.42) VNN1CXCR3CA2CA1OPRM1
SCHEMBL20556976 0.85 HTT (0.50) CA2CA1PGRHTTGAA
SCHEMBL14876759 0.83 PGR (0.40) OPRM1OPRD1OPRK1OPRL1PGR
SCHEMBL14876760 0.83 PGR (0.40) OPRM1OPRD1OPRK1OPRL1PGR
SCHEMBL1560266 0.81 PGR (0.38) CA2CA1PGRHTTGAA
SCHEMBL2363242 0.77 HTT (0.48) VNN1OPRM1OPRK1OPRL1HTT
SCHEMBL23224319 0.77 MMP2 (0.38) PGRHTTGAATSHRHDAC6
SCHEMBL29975216 0.77 PGR (0.43) CXCR3PGRHTTGAALMNA
SCHEMBL9923372 0.77 AKT1 (0.41) PGR
SCHEMBL24807415 0.77 MMP2 (0.38) PGRHTTGAATSHRHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411364-A1 PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2022-12-29 US disclosed
WO-2021069927-A1 PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2021-04-15 WO disclosed
EP-2649061-B1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-05-13 EP disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US disclosed
EP-2649061-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm S.p.A. (IT) 2013-10-16 EP disclosed
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2013-10-03 US disclosed
US-8541407-B2 Substituted benzo-pyrido-triazolo-diazepine compounds ARQULE, INC. (US) 2013-09-24 US disclosed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 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-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, CNR1 VNN1 3487/4885CXCR3 165/4885CA2 678/4885
US-20220411364-A1 PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST COMPOUNDS PTGER1, PTGER4, PTGER2 VNN1 3828/4885CXCR3 422/4885CA2 3516/4885

“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.