SCHEMBL7652408

SCHEMBL7652408

O=C(O)c1cccc2ccn(Cc3ccccc3)c12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
APP P05067 3/20 0.52
PTGER4 P35408 6/20 0.51
PTGDR Q13258 5/20 0.51
FABP4 P15090 4/20 0.49
SNCA P37840 2/20 0.48
PTGER2 P43116 2/20 0.47
PTGER3 P43115 2/20 0.47
TBXA2R P21731 1/20 0.47
PTGER1 P34995 1/20 0.47
PTGFR P43088 1/20 0.47
FABP3 P05413 1/20 0.46
ADRA1D P25100 1/20 0.46
LMNA P02545 1/20 0.44
CNR2 P34972 1/20 0.44
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43

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
SCHEMBL989493 0.91 CHRM1 (0.50) NOTUMAPPPTGER4PTGDRFABP4
SCHEMBL987890 0.90 PTGER4 (0.51) NOTUMAPPPTGER4PTGDRFABP4
SCHEMBL13802480 0.89 PTGER4 (0.64) NOTUMPTGER4PTGDRPTGER2ADRA1D
SCHEMBL12584024 0.89 PTGER4 (0.48) NOTUMAPPPTGER4PTGDRFABP4
SCHEMBL12900317 0.88 NOTUM (0.51) NOTUMAPPPTGER4PTGDRFABP4
SCHEMBL12900314 0.88 FABP4 (0.50) NOTUMAPPPTGER4PTGDRFABP4
SCHEMBL988161 0.86 PTGER4 (0.50) NOTUMAPPPTGER4PTGDRFABP4
SCHEMBL22393055 0.85 APP (0.48) NOTUMAPPPTGER4PTGDRSNCA
SCHEMBL20542260 0.85 PTGER4 (0.54) NOTUMAPPPTGER4PTGDRFABP4
SCHEMBL20541945 0.85 PTGER4 (0.47) NOTUMAPPPTGER4PTGDRFABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460787-A1 Amide compounds and their use as PGE2 antagonists. Astellas Pharma Inc. (JP) 2012-06-06 EP disclosed
US-8158671-B2 Indole and indoline cyclopropyl amide derivatives as EP4 receptor antagonists MERCK CANADA INC. (CA) 2012-04-17 US disclosed
US-20110028463-A1 AMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-02-03 US disclosed
US-20090318518-A1 INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK CANADA INC. (CA) 2009-12-24 US disclosed
US-6489354-B1 IN PARTICULAR, THESE COMPOUNDS ARE USEFUL AS MODULATORS OF THE CHEMOKINE RECEPTORS CCR-3 AND/OR CCR-5 USEFUL IN THE TREATMENT AND PREVENTION OF ATOPIC CONDITIONS INCLUDING ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, AND ASTHMA MERCK & CO., INC. 2002-12-03 US disclosed
US-6372764-B1 ANTIINFLAMMATORY AGENTS AND AIDS TREATMENT MERCK & CO., INC. 2002-04-16 US disclosed
WO-2000051609-A1 3-ALKYL SUBSTITUTED PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-09-08 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-20090318518-A1 INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, PTGER3 NOTUM 2678/4885APP 2604/4885PTGER4 1/4885
US-20110028463-A1 AMIDE COMPOUNDS PTGER4, PTGER1, PTGER2 NOTUM 1532/4885APP 4262/4885PTGER4 1/4885

“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.