SCHEMBL12355447

SCHEMBL12355447

O=CCc1c2n(c3ccccc13)CC(=O)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.46
CHRM2 P08172 3/20 0.46
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR3A P46098 1/20 0.37
MTNR1A P48039 6/20 0.36
MTNR1B P49286 6/20 0.36
PTGDR2 Q9Y5Y4 5/20 0.34
PTGDR Q13258 4/20 0.34
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMARCA4 P51532 1/20 0.32
PBRM1 Q86U86 1/20 0.32
TBXA2R P21731 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
SCHEMBL15428830 0.79 PTGDR2 (0.53) PTGDR2PTGDRTBXA2RCYP3A4CYP2C9
SCHEMBL12347572 0.71 ALDH1A1 (0.46) CHRNA7CHRM2MTNR1AMTNR1BPTGDR2
Hydrochloric Acid SCHEMBL11301307 0.62 ALDH1A1 (0.33) HTR2AHPGDMEN1ALDH1A1MAPT
SCHEMBL19930320 0.61 MTNR1A (0.41) CHRNA7CHRM2HTR2AHTR2CMTNR1A
SCHEMBL8269986 0.61 ALDH1A1 (0.50) HPGDMEN1ALDH1A1MAPTMAPK1
SCHEMBL14499117 0.60 ALDH1A1 (0.61) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL1092484 0.59 HTR2A (0.68) HTR2AHTR2CHPGDALDH1A1MAPT
SCHEMBL20080068 0.58 HTR6 (0.43) CHRNA7CHRM2HTR2AHTR2CMTNR1A
SCHEMBL2010595 0.57 GPR84 (0.65) HTR2AHPGDMEN1ALDH1A1MAPT
SCHEMBL5460834 0.57 GPR84 (0.38) HTR2AALDH1A1MAPTKMT2AKDM4E

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-20110201641-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-08-18 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-20110201641-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS HRH2, MTNR1B, MTNR1A CHRNA7 597/4885CHRM2 91/4885HTR2A 33/4885

“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.