SCHEMBL984991

SCHEMBL984991

COC(=O)n1ccc2cc(C3(CCc4ccccc4)CC(=O)N(Cc4ccccc4)C3=O)ccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.38
ATM Q13315 3/20 0.35
REN P00797 2/20 0.35
CTSD P07339 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BACE1 P56817 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 1/20 0.32

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 0.91 ATM (0.40) PTGDR2ATMRENCTSDMEN1
SCHEMBL983370 0.88 PTGDR2 (0.37) PTGDR2ATMRENCTSDMEN1
SCHEMBL981882 0.86 PTGDR2 (0.40) PTGDR2ATMMEN1KMT2AALDH1A1
SCHEMBL983940 0.85 PTGDR2 (0.43) PTGDR2MEN1KMT2AALDH1A1
SCHEMBL982927 0.85 PTGDR2 (0.40) PTGDR2ATMRENCTSDMEN1
SCHEMBL980826 0.85 CYP3A4 (0.38) PTGDR2ATMRENCTSDMEN1
SCHEMBL981023 0.84 ATM (0.40) PTGDR2ATMRENCTSDMEN1
SCHEMBL983369 0.80 MEN1 (0.39) ATMMEN1KMT2ABACE1
SCHEMBL981169 0.77 ATM (0.39) PTGDR2ATMRENCTSDMEN1
SCHEMBL984625 0.73 SLC6A2 (0.51) PTGDR2

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 373/4885ATM 4403/4885REN 321/4885

“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.