SCHEMBL1061933

SCHEMBL1061933

NC(=O)[C@@H]1CCCc2ccc(Cl)cc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 13/20 0.54
SIRT2 Q8IXJ6 6/20 0.54
SIRT3 Q9NTG7 2/20 0.54
KDM4C Q9H3R0 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
ALOX15 P16050 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14916493 0.90 SIRT1 (0.52) SIRT1SIRT2SIRT3TRPM8
SCHEMBL28766567 0.86 KDM4C (0.46) SIRT1SIRT2SIRT3KDM4CTAS1R3
SCHEMBL29673179 0.86 KDM4C (0.46) SIRT1SIRT2SIRT3KDM4CTAS1R3
SCHEMBL3353429 0.81 SIRT1 (0.44) SIRT1SIRT2SIRT3TAS1R3TAS1R1
SCHEMBL24542973 0.81 LMNA (0.43) SIRT1SIRT2SIRT3KDM4CTAS1R3
SCHEMBL29673142 0.81 LMNA (0.43) SIRT1SIRT2SIRT3KDM4CTAS1R3
SCHEMBL23088000 0.80 SIRT1 (0.44) SIRT1SIRT2SIRT3MAPT
SCHEMBL3714922 0.78 MTNR1B (0.52) ACHE
SCHEMBL15129328 0.78 SIRT1 (0.49) SIRT1SIRT2SIRT3
SCHEMBL14916469 0.78 SIRT1 (0.49) SIRT1SIRT2SIRT3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289086-A1 Aminopyrrolidinone Derivatives and Uses Thereof DUGGAN MARK E (US) 2013-10-31 US disclosed
US-8252829-B2 Aminopyrrolidinone derivatives and uses thereof LINK MEDICINE CORPORATION (US) 2012-08-28 US disclosed
EP-2438059-A1 AMINOPYRROLIDINONE DERIVATIVES AND USES THEREOF Link Medicine Corporation (US) 2012-04-11 EP disclosed
US-20110021590-A1 AMINOPYRROLIDINONE DERIVATIVES AND USES THEREOF LINK MEDICINE CORPORATION (US) 2011-01-27 US disclosed
WO-2010141932-A1 AMINOPYRROLIDINONE DERIVATIVES AND USES THEREOF LINK MEDICINE CORPORATION (US) 2010-12-09 WO 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 (2 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-20130289086-A1 Aminopyrrolidinone Derivatives and Uses Thereof PRMT1, PRMT5, AGTR2 SIRT1 1158/4885SIRT2 635/4885SIRT3 1446/4885
US-20110021590-A1 AMINOPYRROLIDINONE DERIVATIVES AND USES THEREOF PRMT1, PRMT5, AGTR2 SIRT1 1158/4885SIRT2 635/4885SIRT3 1446/4885

“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.