SCHEMBL3085148

SCHEMBL3085148

O=C(O)Cc1c2c(n3ccccc13)CC(n1cc(Cc3ccccc3)nn1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.46
CYP2C9 P11712 2/20 0.46
PTGDR Q13258 2/20 0.46
DRD4 P21917 5/20 0.44
SIGMAR1 Q99720 5/20 0.44
DRD2 P14416 1/20 0.44
KCNH2 Q12809 1/20 0.44
CD74 P04233 1/20 0.34
MIF P14174 1/20 0.34
BRD4 O60885 2/20 0.33
CYP3A4 P08684 1/20 0.33
TK2 O00142 1/20 0.32
TK1 P04183 1/20 0.32
KDM6B O15054 2/20 0.31
KDM5C P41229 2/20 0.31
KDM4C Q9H3R0 2/20 0.31
KDM2A Q9Y2K7 2/20 0.31
KDM3A Q9Y4C1 2/20 0.31
KDM4A O75164 1/20 0.31
KCNMA1 Q12791 2/20 0.31

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
SCHEMBL3090503 0.87 PTGDR2 (0.44) PTGDR2CYP2C9PTGDRCYP3A4KDM4C
SCHEMBL3096538 0.83 PTGDR2 (0.46) PTGDR2CYP2C9PTGDRCYP3A4
SCHEMBL186102 0.82 PTGDR2 (0.46) PTGDR2CYP2C9PTGDRKCNH2CYP3A4
SCHEMBL3083405 0.81 PTGDR2 (0.54) PTGDR2CYP2C9PTGDRDRD4DRD2
SCHEMBL3078544 0.81 PTGDR2 (0.47) PTGDR2CYP2C9PTGDRCYP3A4
SCHEMBL12002811 0.81 DRD4 (0.39) PTGDR2CYP2C9PTGDRDRD4SIGMAR1
SCHEMBL3090509 0.80 PTGDR2 (0.45) PTGDR2CYP2C9PTGDRCYP3A4KDM6B
SCHEMBL3084777 0.80 PTGDR2 (0.46) PTGDR2CYP2C9PTGDRCYP3A4
SCHEMBL3085267 0.79 PTGDR2 (0.44) PTGDR2CYP2C9PTGDRDRD4DRD2
SCHEMBL3089083 0.79 PTGDR2 (0.48) PTGDR2CYP2C9PTGDRDRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401269-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-29 EP claimed
US-8394819-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-12 US claimed
EP-2492267-A1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient Merck Sharp & Dohme Corp. (US) 2012-08-29 EP claimed
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-16 US claimed
EP-2492267-B1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient MERCK SHARP & DOHME (US) 2014-11-26 EP disclosed
EP-2401269-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-8394819-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
EP-2492267-A1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient Merck Sharp & Dohme Corp. (US) 2012-08-29 EP disclosed
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-16 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 (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-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR PTGDR2 2/4885CYP2C9 1320/4885PTGDR 3/4885

“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.