SCHEMBL820565

SCHEMBL820565

CC(=O)O[C@H]1C[C@@H](Cc2c[nH]c3ccccc23)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 1/20 0.43
TACR1 P25103 1/20 0.42
TACR3 P29371 1/20 0.42
PDE4D Q08499 2/20 0.42
GPR84 Q9NQS5 2/20 0.42
HTR6 P50406 4/20 0.41
NMBR P28336 1/20 0.41
MC5R P33032 1/20 0.41
MC3R P41968 1/20 0.41
MC1R Q01726 1/20 0.41

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
SCHEMBL946384 0.89 TGM2 (0.41) GPR84HTR6
SCHEMBL29993724 0.89 TGM2 (0.41) GPR84HTR6
SCHEMBL5019943 0.89 TGM2 (0.41) GPR84HTR6
SCHEMBL12944880 0.89 TGM2 (0.41) GPR84HTR6
SCHEMBL818205 0.88 MET (0.41)
SCHEMBL820249 0.88 MET (0.41)
SCHEMBL19540634 0.85 TACR1 (0.46) ERAP2TACR1TACR3HTR6NMBR
SCHEMBL29993611 0.83 MAPT (0.42) ERAP2TACR1TACR3NMBR
SCHEMBL29993930 0.82 TACR1 (0.44) ERAP2TACR1TACR3NMBRMC5R
SCHEMBL13787008 0.82 PSEN1 (0.38)

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-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 ERAP2 270/4885TACR1 4669/4885TACR3 4373/4885

“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.