SCHEMBL3083405

SCHEMBL3083405

O=C(O)Cc1c2c(n3ccccc13)CC(n1cc(-c3ccc(F)cc3)nn1)CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.54
PTGDR Q13258 6/20 0.54
CYP2C9 P11712 3/20 0.54
CYP3A4 P08684 2/20 0.40
SRC P12931 1/20 0.36
TBXA2R P21731 4/20 0.36
DPP4 P27487 1/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA7 P36544 3/20 0.36
CHRNA4 P43681 3/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
NAMPT P43490 1/20 0.34
GABRA1 P14867 1/20 0.34
ADRA1D P25100 1/20 0.34

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
SCHEMBL3096560 0.91 PTGDR2 (0.46) PTGDR2PTGDRCYP2C9CYP3A4SRC
SCHEMBL3089083 0.89 PTGDR2 (0.48) PTGDR2PTGDRCYP2C9CYP3A4SRC
SCHEMBL3085267 0.89 PTGDR2 (0.44) PTGDR2PTGDRCYP2C9SRCDRD2
SCHEMBL3088429 0.88 PTGDR2 (0.51) PTGDR2PTGDRCYP2C9CYP3A4SRC
SCHEMBL3088572 0.88 PTGDR2 (0.44) PTGDR2PTGDRCYP2C9CYP3A4SRC
SCHEMBL3090509 0.83 PTGDR2 (0.45) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL3085148 0.81 PTGDR2 (0.46) PTGDR2PTGDRCYP2C9CYP3A4DRD2
SCHEMBL3088635 0.81 PTGDR2 (0.54) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL3096538 0.79 PTGDR2 (0.46) PTGDR2PTGDRCYP2C9CYP3A4
SCHEMBL3090503 0.79 PTGDR2 (0.44) PTGDR2PTGDRCYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492267-B1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient MERCK SHARP & DOHME (US) 2014-11-26 EP claimed
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 2/4885PTGDR 3/4885CYP2C9 1320/4885

“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.