SCHEMBL3092544

SCHEMBL3092544

O=C(O)Cc1c2c(n3ccccc13)CC(n1nncc1Cc1ccc(F)cc1F)CC2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.48
CYP2C9 P11712 2/20 0.48
PTGDR Q13258 2/20 0.48
CYP3A4 P08684 1/20 0.35
HTR2A P28223 4/20 0.34
HTR2C P28335 4/20 0.34
HSD11B1 P28845 2/20 0.33
TBXA2R P21731 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL3078753 0.89 PTGDR2 (0.53) PTGDR2CYP2C9PTGDRCYP3A4HSD11B1
SCHEMBL3090539 0.88 PTGDR2 (0.38) PTGDR2CYP2C9PTGDRHSD11B1TBXA2R
SCHEMBL3084777 0.86 PTGDR2 (0.46) PTGDR2CYP2C9PTGDRCYP3A4HSD11B1
SCHEMBL3088635 0.82 PTGDR2 (0.54) PTGDR2CYP2C9PTGDRCYP3A4TBXA2R
SCHEMBL3090480 0.81 PTGDR2 (0.51) PTGDR2CYP2C9PTGDRCYP3A4TBXA2R
SCHEMBL3089086 0.81 PTGDR2 (0.53) PTGDR2CYP2C9PTGDRCYP3A4TBXA2R
SCHEMBL3090409 0.80 PTGDR2 (0.44) PTGDR2CYP2C9PTGDRCYP3A4HSD11B1
SCHEMBL3092531 0.79 PTGDR2 (0.60) PTGDR2CYP2C9PTGDRCYP3A4TBXA2R
SCHEMBL3089687 0.79 PTGDR2 (0.51) PTGDR2CYP2C9PTGDRCYP3A4TBXA2R
SCHEMBL3085299 0.78 PTGDR2 (0.52) PTGDR2CYP2C9PTGDRCYP3A4TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023864-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
US-20130150398-A1 Indole Derivatives as CRTH2 Receptor Antagonists MERCK SHARP & DOHME LLC 2013-06-13 US disclosed
US-8394819-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-12 US 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 (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-20130150398-A1 Indole Derivatives as CRTH2 Receptor Antagonists PTGER2, PTGDR2, PTGDR PTGDR2 2/4885CYP2C9 1320/4885PTGDR 3/4885
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.