SCHEMBL3594508

SCHEMBL3594508

COc1ccc(N2CCNCC2=O)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.56
CHRNA4 P43681 5/20 0.56
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
DPP4 P27487 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
RIOK2 Q9BVS4 1/20 0.39
GRM4 Q14833 2/20 0.37
MAP4K1 Q92918 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
CDK4 P11802 1/20 0.36

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 SCHEMBL1583990 0.99 CHRNB2 (0.54) CHRNB2CHRNA4OPRM1OPRL1NPC1
SCHEMBL255543 0.81 SLC6A2 (0.43) CHRNB2CHRNA4OPRM1OPRL1SLC6A2
SCHEMBL158236 0.80 SLC6A2 (0.44) CHRNB2CHRNA4OPRM1OPRL1SLC6A2
SCHEMBL29741499 0.78 SMN1; SMN2 (0.65) CHRNB2CHRNA4OPRM1OPRL1NPC1
SCHEMBL255556 0.78 SLC6A2 (0.43) CHRNB2CHRNA4OPRM1OPRL1SLC6A2
SCHEMBL1665546 0.78 ADRB1 (0.56) NPC1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL15341607 0.78 SLC6A2 (0.41) CHRNB2CHRNA4OPRM1OPRL1SLC6A2
SCHEMBL21414395 0.78 SLC6A2 (0.41) CHRNB2CHRNA4OPRM1OPRL1SLC6A2
SCHEMBL1358649 0.77 NPC1 (0.60) CHRNB2CHRNA4OPRM1OPRL1NPC1
Hydrochloric Acid SCHEMBL1584077 0.77 ADRB1 (0.54) NPC1SMN1; SMN2SLC6A2SLC6A4SLC6A3

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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CHRNB2 776/4885CHRNA4 356/4885OPRM1 18/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CHRNB2 776/4885CHRNA4 356/4885OPRM1 18/4885

“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.