SCHEMBL983369

SCHEMBL983369

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ATM Q13315 3/20 0.39
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
MAPT P10636 3/20 0.34
BACE1 P56817 1/20 0.34
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRNA7 P36544 2/20 0.32
TFPI2 P48307 1/20 0.32
NPC1 O15118 1/20 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
SCHEMBL981672 0.89 ATM (0.40) MEN1KMT2AATMCYP2D6SLC6A2
SCHEMBL981882 0.84 PTGDR2 (0.40) MEN1KMT2AATMMAPT
SCHEMBL983940 0.82 PTGDR2 (0.43) MEN1KMT2AMAPT
SCHEMBL981023 0.81 ATM (0.40) MEN1KMT2AATMPDE4APDE4B
SCHEMBL984991 0.80 PTGDR2 (0.38) MEN1KMT2AATMBACE1
SCHEMBL980826 0.79 CYP3A4 (0.38) MEN1KMT2AATMMAPTBACE1
SCHEMBL983370 0.78 PTGDR2 (0.37) MEN1KMT2AATMMAPTBACE1
SCHEMBL982927 0.77 PTGDR2 (0.40) MEN1KMT2AATMBACE1
SCHEMBL981169 0.74 ATM (0.39) MEN1KMT2AATMBACE1
SCHEMBL980926 0.72 SLC6A2 (0.48) MEN1KMT2ACYP2D6SLC6A2SLC6A4

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 MEN1 3009/4885KMT2A 2106/4885ATM 4403/4885

“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.