SCHEMBL3593684

SCHEMBL3593684

[CH2]N1CCN(c2ccc(OC)nc2)C(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
NTRK1 P04629 2/20 0.40
CSF1R P07333 2/20 0.40
NTRK2 Q16620 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
DPP4 P27487 1/20 0.39
GRM4 Q14833 2/20 0.39
PIK3CG P48736 1/20 0.37
PDK2 Q15119 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OGA O60502 1/20 0.36
MLLT1 Q03111 1/20 0.35

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
SCHEMBL3593687 0.84 NTRK1 (0.52) NPC1HTTSMN1; SMN2CHRNB2CHRNA4
SCHEMBL29741499 0.78 SMN1; SMN2 (0.65) NPC1HTTSMN1; SMN2CHRNB2CHRNA4
SCHEMBL1584044 0.78 GPR119 (0.48) SMN1; SMN2DPP4MEN1KMT2AHRH3
SCHEMBL1358649 0.77 NPC1 (0.60) NPC1HTTSMN1; SMN2CHRNB2CHRNA4
SCHEMBL1584282 0.75 SCN9A (0.40) NPC1HTTSMN1; SMN2NTRK1CSF1R
SCHEMBL3594508 0.75 CHRNB2 (0.56) NPC1HTTSMN1; SMN2CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL1583990 0.74 CHRNB2 (0.54) NPC1HTTSMN1; SMN2CHRNB2CHRNA4
SCHEMBL21198026 0.74 OPRM1 (0.48) NPC1HTTSMN1; SMN2CHRNB2CHRNA4
SCHEMBL3591467 0.72 ALOX5 (0.48) OGAHRH3
SCHEMBL24177647 0.71 HRH3 (0.50) NPC1HTTSMN1; SMN2CHRNB2CHRNA4

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 claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US 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

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 NPC1 79/4885HTT 1829/4885SMN1; SMN2 3746/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH NPC1 79/4885HTT 1829/4885SMN1; SMN2 3746/4885

“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.