SCHEMBL3726178

SCHEMBL3726178

O=C(O)CN1CCC2CC=CC=C2C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
EPHX2 P34913 1/20 0.33
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
CDK9 P50750 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC18A3 Q16572 1/20 0.30

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
SCHEMBL8708311 0.86 EPHX2 (0.32) EPHX2HSD17B10
Succinic Acid SCHEMBL2849113 0.77 USP5 (0.33) ALDH1A1
SCHEMBL4824901 0.76 PRMT3 (0.36) SIGMAR1ALOX15
SCHEMBL4630963 0.75 ADRA1D (0.32) SIGMAR1
SCHEMBL589584 0.73 HTR1A (0.42)
Acetic Acid SCHEMBL1666951 0.73 CHRNB2 (0.30)
SCHEMBL1898647 0.73
SCHEMBL28166840 0.73 PDE4B (0.32)
SCHEMBL28056726 0.70 NPC1 (0.41) EPHX2LMNAKMT2A
SCHEMBL3168555 0.69 QDPR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130245283-A1 THERAPEUTIC AND DELIVERY METHODS OF PROSTAGLANDIN EP4 AGONISTS ALLERGAN, INC. (US) 2013-09-19 US disclosed
US-20100280250-A1 THERAPEUTIC AND DELIVERY METHODS OF PROSTAGLANDIN EP4 AGONISTS ALLERGAN, INC. 2010-11-04 US disclosed
EP-2027085-A1 PROSTAGLANDIN EP4 AGONISTS Allergan, Inc. (US) 2009-02-25 EP disclosed
WO-2007115001-A1 PROSTAGLANDIN EP4 AGONISTS ALLERGAN, INC. (US) 2007-10-11 WO disclosed
US-20070232660-A1 THERAPEUTIC AND DELIVERY METHODS OF PROSTAGLANDIN EP4 AGONISTS ALLERGAN, INC. 2007-10-04 US 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-20070232660-A1 THERAPEUTIC AND DELIVERY METHODS OF PROSTAGLANDIN EP4 AGONISTS PTGER4, PTGER1, PTGER3 TLR9 1189/4885TLR8 622/4885TLR7 758/4885
US-20130245283-A1 THERAPEUTIC AND DELIVERY METHODS OF PROSTAGLANDIN EP4 AGONISTS PTGER4, PTGER1, PTGER3 TLR9 1189/4885TLR8 622/4885TLR7 758/4885
US-20100280250-A1 THERAPEUTIC AND DELIVERY METHODS OF PROSTAGLANDIN EP4 AGONISTS PTGER4, PTGER1, PTGER3 TLR9 1189/4885TLR8 622/4885TLR7 758/4885

“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.