SCHEMBL983370

SCHEMBL983370

COC(=O)n1ccc2cc(C3(CC(=O)c4ccccc4)CC(=O)N(Cc4ccccc4)C3=O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.37
REN P00797 4/20 0.37
CTSD P07339 2/20 0.37
BACE1 P56817 1/20 0.37
TP53 P04637 3/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL981672 0.89 ATM (0.40) PTGDR2RENCTSDBACE1ATM
SCHEMBL984991 0.88 PTGDR2 (0.38) PTGDR2RENCTSDBACE1ATM
SCHEMBL981882 0.85 PTGDR2 (0.40) PTGDR2MAPTATMMEN1KMT2A
SCHEMBL983940 0.84 PTGDR2 (0.43) PTGDR2MAPTMEN1KMT2AALDH1A1
SCHEMBL982927 0.84 PTGDR2 (0.40) PTGDR2RENCTSDBACE1ATM
SCHEMBL980826 0.83 CYP3A4 (0.38) PTGDR2RENCTSDBACE1MAPT
SCHEMBL981023 0.82 ATM (0.40) PTGDR2RENCTSDBACE1MAPT
SCHEMBL983369 0.78 MEN1 (0.39) BACE1MAPTATMMEN1KMT2A
SCHEMBL980979 0.77 CTNNB1 (0.45) PTGDR2TP53MAPT
SCHEMBL981169 0.76 ATM (0.39) PTGDR2RENCTSDBACE1ATM

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-2257545-B1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMAN-LA ROCHE, INC. (US) 2011-01-27 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-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF SLC6A3, MAOB, TPH2 PTGDR2 373/4885REN 321/4885CTSD 1133/4885

“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.