SCHEMBL2188346

SCHEMBL2188346

CCCC(C(=O)O)c1c2c(n3ccccc13)C[C@H](NC)CC2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.36
PTGDR Q13258 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
HTR4 Q13639 2/20 0.32
HTR1A P08908 2/20 0.32
HTR1B P28222 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
HTR1E P28566 1/20 0.32
HTR7 P34969 1/20 0.32
OPRM1 P35372 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
KCNQ2 O43526 1/20 0.32
HTR1D P28221 1/20 0.31
CYP3A4 P08684 2/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
CYP2D6 P10635 1/20 0.31
RB1 P06400 1/20 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
SCHEMBL2189400 0.91 RB1 (0.36) CYP2C9PTGDRPTGDR2HTR4DRD2
SCHEMBL2188133 0.86 KCNA3 (0.41) CYP2C9PTGDRPTGDR2DRD2
SCHEMBL2187160 0.86 CYP2C9 (0.37) CYP2C9PTGDRPTGDR2HTR1BKCNQ2
SCHEMBL2191234 0.84 PTGDR (0.36) CYP2C9PTGDRPTGDR2HTR4HTR1A
SCHEMBL2187311 0.83 DRD2 (0.32) CYP2C9PTGDRPTGDR2HTR1AHTR1B
SCHEMBL2188978 0.78 PSIP1 (0.33)
SCHEMBL2190625 0.78 PTGDR2 (0.41) CYP2C9PTGDRPTGDR2CYP3A4
SCHEMBL12002811 0.77 DRD4 (0.39) CYP2C9PTGDRPTGDR2DRD2DRD4
SCHEMBL12002968 0.77 AGTR2 (0.41) CYP2C9PTGDRPTGDR2
SCHEMBL3663657 0.77 PTGDR2 (0.56) CYP2C9PTGDRPTGDR2HTR1AHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346865-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2011-07-27 EP disclosed
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 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-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR CYP2C9 1320/4885PTGDR 3/4885PTGDR2 2/4885

“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.