SCHEMBL196361

SCHEMBL196361

O=C(NC1(c2ccccc2)CC1)c1cnc2cc(F)cc(Cc3ccc(C(F)(F)F)cc3)n12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.44
PTGER2 P43116 2/20 0.42
PDE2A O00408 7/20 0.41
PTGDR Q13258 2/20 0.40
TBXA2R P21731 1/20 0.40
PTGER1 P34995 1/20 0.40
PTGFR P43088 1/20 0.40
PTGER3 P43115 1/20 0.40
TACR3 P29371 1/20 0.39
SLC6A9 P48067 4/20 0.39
VNN1 O95497 1/20 0.38
TACR1 P25103 1/20 0.37

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
SCHEMBL196044 0.85 PTGER4 (0.51) PTGER4PTGER2PTGDRTBXA2RPTGER1
SCHEMBL196767 0.85 PTGER4 (0.43) PTGER4PTGER2PDE2APTGDRTBXA2R
SCHEMBL22633322 0.81 CCR9 (0.43) VNN1
SCHEMBL247942 0.78 PTGER4 (0.55) PTGER4PTGER2PTGDRTBXA2RPTGER1
SCHEMBL1952872 0.74 PTGER4 (0.52) PTGER4PTGER2PDE2APTGDRTBXA2R
SCHEMBL253776 0.74 PTGER4 (0.54) PTGER4PTGER2PTGDRTBXA2RPTGER1
SCHEMBL197059 0.67 PTGER4 (0.52) PTGER4PTGER2PDE2APTGDRTBXA2R
SCHEMBL28113612 0.67 PDE2A (0.58) PTGER4PTGER2PDE2APTGDRTBXA2R
SCHEMBL3223346 0.65 SRD5A2 (0.44)
SCHEMBL197366 0.64 PTGER4 (0.49) PTGER4PTGER2PDE2APTGDRTBXA2R

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
JP-2012500211-A 2012-01-05 JP claimed
US-20110136887-A1 Heterocyclic Amide Derivatives as EP4 Receptor Antagonists BETA PHARMA CANADA INC. (CA) 2011-06-09 US claimed
EP-2320906-A1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Beta Pharma Canada Inc. (CA) 2011-05-18 EP claimed
WO-2010019796-A1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS CHEMIETEK, LLC (US) 2010-02-18 WO claimed
US-12240860-B2 Heterobicyclic carboxylic acids and salts thereof Foshan Ionova Biotherapeutics Co., Inc. (CN) 2025-03-04 US disclosed
CN-111936502-B Heterobicyclic carboxylic acids and salts thereof 深圳市原力生命科学有限公司 2024-05-31 CN disclosed
CN-117643587-A Heterobicyclic carboxylic acids for the treatment of cancer 深圳市原力生命科学有限公司 2024-03-05 CN 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-12240860-B2 Heterobicyclic carboxylic acids and salts thereof PTGER4, PTGER1, GPR4 PTGER4 1/4885PTGER2 9/4885PDE2A 4418/4885
US-20110136887-A1 Heterocyclic Amide Derivatives as EP4 Receptor Antagonists PTGER4, PTGER1, PTGER2 PTGER4 1/4885PTGER2 3/4885PDE2A 311/4885

“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.