SCHEMBL3411519

SCHEMBL3411519

CC(C)(N)c1ccc(C2CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
NOTUM Q6P988 2/20 0.38
GPR119 Q8TDV5 1/20 0.35
MTOR P42345 4/20 0.33
PIK3CA P42336 2/20 0.33
PDE2A O00408 1/20 0.33
SMO Q99835 1/20 0.32
HSD11B1 P28845 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
TRPC6 Q9Y210 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 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
SCHEMBL12459121 0.85 NOTUM (0.40) ADORA2AADORA2BNOTUMGPR119MTOR
SCHEMBL29852305 0.81 KMT2A (0.42) NOTUMGPR119KMT2A
SCHEMBL16452781 0.81 KMT2A (0.42) NOTUMGPR119KMT2A
SCHEMBL13141206 0.79 NOTUM (0.36) ADORA2AADORA2BNOTUMGPR119HSD11B1
SCHEMBL27064600 0.79 CNR2 (0.41) NOTUMGPR119MTOR
SCHEMBL23054209 0.77 NOTUM (0.36) ADORA2AADORA2BNOTUMGPR119MTOR
SCHEMBL13179082 0.77 TRPV3 (0.36) ADORA2AADORA2BNOTUMGPR119HSD11B1
SCHEMBL13197446 0.77 LIPE (0.41) NOTUMGPR119HSD11B1PDK1PDK2
SCHEMBL21981194 0.77 TRPV3 (0.36) ADORA2AADORA2BNOTUMGPR119HSD11B1
SCHEMBL13197445 0.77 LIPE (0.41) NOTUMGPR119HSD11B1PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168659-B2 1, 5-diphenyl-3-benzylamino-1, 5-dihydropyrrolidin-2-one as CB1 receptor modulators ELI LILLY AND COMPANY (US) 2012-05-01 US disclosed
US-8168659-B2 1, 5-diphenyl-3-benzylamino-1, 5-dihydropyrrolidin-2-one as CB1 receptor modulators ELI LILLY AND COMPANY (US) 2012-05-01 US disclosed
EP-2094684-B1 1,5-DIPHENYL-3-BENZYLAMINO-1,5-DIHYDROPYRROLIDIN 2-ONES AS CB1 RECEPTOR MODULATORS LILLY CO ELI (US) 2010-12-22 EP disclosed
EP-2094684-B1 1,5-DIPHENYL-3-BENZYLAMINO-1,5-DIHYDROPYRROLIDIN 2-ONES AS CB1 RECEPTOR MODULATORS LILLY CO ELI (US) 2010-12-22 EP disclosed
US-20090275618-A1 1, 5-DIPHENYL-3-BENZYLAMINO-1, 5-DIHYDROPYRROLIDIN-2-ONE AS CB1 RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-11-05 US disclosed
US-20090275618-A1 1, 5-DIPHENYL-3-BENZYLAMINO-1, 5-DIHYDROPYRROLIDIN-2-ONE AS CB1 RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-11-05 US disclosed
WO-2008070306-A2 1,5-DIPHENYL-3-BENZYLAMIN0-1,5-DIHYDR0PYRR0LIDIN-2-0NE AS CB1 RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-06-12 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 (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-20090275618-A1 1, 5-DIPHENYL-3-BENZYLAMINO-1, 5-DIHYDROPYRROLIDIN-2-ONE AS CB1 RECEPTOR MODULATORS CNR1, CNR2, GPR55 ADORA2A 316/4885ADORA2B 947/4885NOTUM 2442/4885

“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.