SCHEMBL2187160

SCHEMBL2187160

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.37
PTGDR Q13258 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
CYP3A4 P08684 1/20 0.32
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 0.32
PSIP1 O75475 3/20 0.32
KCNQ2 O43526 1/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1B P28222 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2188346 0.86 CYP2C9 (0.36) CYP2C9PTGDRPTGDR2CYP3A4KCNQ2
SCHEMBL2189400 0.85 RB1 (0.36) CYP2C9PTGDRPTGDR2CYP3A4KCNQ2
SCHEMBL2188133 0.80 KCNA3 (0.41) CYP2C9PTGDRPTGDR2KMT2A
SCHEMBL2188978 0.80 PSIP1 (0.33) PSIP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL2190625 0.80 PTGDR2 (0.41) CYP2C9PTGDRPTGDR2CYP3A4
SCHEMBL12002811 0.77 DRD4 (0.39) CYP2C9PTGDRPTGDR2
SCHEMBL12002968 0.77 AGTR2 (0.41) CYP2C9PTGDRPTGDR2
SCHEMBL15428825 0.74 PTGDR2 (0.56) CYP2C9PTGDRPTGDR2CYP3A4KDM4E
SCHEMBL2187156 0.73 PTGDR2 (0.39) PTGDRPTGDR2PSIP1
SCHEMBL13279600 0.71 CYP2C9 (0.46) CYP2C9PTGDRPTGDR2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.