SCHEMBL1111352

SCHEMBL1111352

CC(C)(N)c1cccc(C#N)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.39
CTSS P25774 3/20 0.38
SOS2 Q07890 1/20 0.37
TRPV4 Q9HBA0 1/20 0.35
SRC P12931 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
IDH1 O75874 1/20 0.33
CCR6 P51684 1/20 0.32
NQO1 P15559 1/20 0.32
BRS3 P32247 1/20 0.32
CCR9 P51686 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
Hydrochloric Acid SCHEMBL1111086 0.98 CTSK (0.38) CTSKCTSSSOS2TRPV4SRC
SCHEMBL2960222 0.84 CTSK (0.41) CTSKCTSSSOS2TRPV4SRC
SCHEMBL24794162 0.81 CTSS (0.49) CTSKCTSSSOS2SRCIRAK4
SCHEMBL1273797 0.79 IRAK4 (0.37) IRAK4IDH1
SCHEMBL19309204 0.78 BRS3 (0.40) CTSKCTSSSOS2TRPV4SRC
SCHEMBL24608472 0.77 SOS2 (0.38) CTSKCTSSSOS2SRCEGLN2
SCHEMBL24608476 0.77 CTSK (0.36) CTSKCTSSSOS2TRPV4SRC
SCHEMBL1442844 0.76 CTSS (0.51) CTSKCTSSSOS2IRAK4IDH1
SCHEMBL30449276 0.76 CTSS (0.51) CTSKCTSSSOS2IRAK4IDH1
SCHEMBL19646337 0.75 CTSS (0.36) CTSKCTSSSOS2SRCEGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426448-B2 1,5-diphenyl-pyrrolidin-2-one compounds as CB-1 ligands ELI LILLY AND COMPANY (US) 2013-04-23 US disclosed
US-8426448-B2 1,5-diphenyl-pyrrolidin-2-one compounds as CB-1 ligands ELI LILLY AND COMPANY (US) 2013-04-23 US disclosed
US-8426448-B2 1,5-diphenyl-pyrrolidin-2-one compounds as CB-1 ligands ELI LILLY AND COMPANY (US) 2013-04-23 US disclosed
CN-102119029-B 1, 5-diphenyl-pyrrolidin-2-one compounds as CB-1 ligands LILLY CO ELI 2013-03-13 CN disclosed
CN-102119029-A 1, 5-diphenyl-pyrrolidin-2-one compounds as CB-1 ligands LILLY CO ELI 2011-07-06 CN disclosed
US-20110028520-A1 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2011-02-03 US disclosed
US-20110028520-A1 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2011-02-03 US disclosed
US-20110028520-A1 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2011-02-03 US disclosed
EP-2278968-A2 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2011-02-02 EP disclosed
WO-2009131814-A2 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2009-10-29 WO disclosed
WO-2009131814-A2 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2009-10-29 WO disclosed
US-5371097-A Antiulcer agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-12-06 US disclosed
US-5364871-A Antiulcer agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-15 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-20110028520-A1 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS CNR1, CNR2, GPR119 CTSK 2364/4885CTSS 1468/4885SOS2 3480/4885

“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.