SCHEMBL5797985

SCHEMBL5797985

O=Cc1ccc2c(c1)c1ccccc1n2CC1CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 11/20 0.58
CNR2 P34972 1/20 0.46
RORC P51449 4/20 0.45
RORA P35398 1/20 0.44
RORB Q92753 1/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
SRC P12931 2/20 0.42

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
SCHEMBL17938383 0.96 PTGER4 (0.56) PTGER4CNR2RORCRORARORB
SCHEMBL4779304 0.93 PTGER4 (0.54) PTGER4CNR2RORCRORARORB
SCHEMBL28182546 0.90 PTGER4 (0.51) PTGER4CNR2RORCRORARORB
SCHEMBL4840158 0.84 DHFR (0.60) PTGER4CNR2KDM4EPOLBPKM
SCHEMBL5795412 0.81 CYP1A2 (0.54) PTGER4CNR2RORCRORARORB
SCHEMBL11829790 0.79 PTGER4 (0.72) PTGER4CNR2KDM4EPOLBPKM
SCHEMBL22166435 0.79 PTGER4 (0.63) PTGER4KDM4EPOLBPKMHTT
SCHEMBL416844 0.79 PTGER4 (0.70) PTGER4KDM4EPOLBPKMHTT
SCHEMBL29507657 0.79 PTGER4 (0.70) PTGER4KDM4EPOLBPKMHTT
SCHEMBL19179039 0.78 CYP1A2 (0.50) PTGER4CNR2RORCNPC1KDM4E

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
US-9708311-B2 Benzimidazole derivatives as EP4 antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-18 US disclosed
EP-2928884-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS Bayer Pharma AG (DE) 2017-05-24 EP disclosed
US-20160214977-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS BAYER ANIMAL HEALTH GMBH (DE) 2016-07-28 US disclosed
EP-2928884-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS Bayer Pharma Aktiengesellschaft (DE) 2015-10-14 EP disclosed
CN-104854098-A NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS Bayer Pharma AG 2015-08-19 CN disclosed
WO-2014086739-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-06-12 WO disclosed
WO-2006012310-A2 CARBAZOLE DERIVATIVES FOR TREATING POLYCYSTIC KIDNEY DISEASE GENZYME CORPORATION (US) 2006-02-02 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 (1 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-20160214977-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS PTGER4, PTGER1, PTGER2 PTGER4 1/4885CNR2 121/4885RORC 1300/4885

“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.