SCHEMBL3593687

SCHEMBL3593687

COc1ccc(N2CCN(C)CC2=O)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.52
CSF1R P07333 2/20 0.52
NTRK2 Q16620 2/20 0.52
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRNB2 P17787 4/20 0.44
CHRNA4 P43681 4/20 0.44
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
TLR7 Q9NYK1 2/20 0.41
KCNH2 Q12809 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
DPP4 P27487 1/20 0.40
GRM4 Q14833 2/20 0.39
MAT2A P31153 1/20 0.38
PTK2 Q05397 1/20 0.38

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
SCHEMBL3593684 0.84 NPC1 (0.44) NTRK1CSF1RNTRK2NPC1HTT
SCHEMBL14490258 0.81 DRD3 (0.51) NTRK1CSF1RNTRK2CHRNB2CHRNA4
SCHEMBL2820372 0.81 SLC6A2 (0.44) NTRK1CSF1RNTRK2CHRNB2CHRNA4
SCHEMBL18291551 0.79 SLC6A2 (0.43) NTRK1CSF1RNTRK2SLC6A2SLC6A4
SCHEMBL29741499 0.79 SMN1; SMN2 (0.65) NPC1HTTSMN1; SMN2CHRNB2CHRNA4
SCHEMBL1358649 0.78 NPC1 (0.60) NPC1HTTSMN1; SMN2CHRNB2CHRNA4
SCHEMBL14570546 0.77 POLB (0.50) NPC1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL20249115 0.77 SLC6A2 (0.42) NTRK1CSF1RNTRK2HTTSMN1; SMN2
SCHEMBL10256825 0.77 SLC6A2 (0.42) NTRK1CSF1RNTRK2SLC6A2SLC6A4
SCHEMBL1584044 0.76 GPR119 (0.48) SMN1; SMN2DPP4

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 9 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 claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
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 NTRK1 579/4885CSF1R 1287/4885NTRK2 329/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH NTRK1 579/4885CSF1R 1287/4885NTRK2 329/4885

“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.