SCHEMBL2984883

SCHEMBL2984883

NC(c1ccccc1)C1CCCC2CCCN21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.44
OPRL1 P41146 14/20 0.44
OPRD1 P41143 13/20 0.44
OPRK1 P41145 13/20 0.44
ALDH1A1 P00352 2/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL3953362 0.95 OPRM1 (0.43) OPRM1OPRL1OPRD1OPRK1ALDH1A1
SCHEMBL2989048 0.90 OPRM1 (0.44) OPRM1OPRL1OPRD1OPRK1ALDH1A1
SCHEMBL3959432 0.80 OPRM1 (0.40) OPRM1OPRL1OPRD1OPRK1
SCHEMBL2986994 0.79 ALDH1A1 (0.46) ALDH1A1
SCHEMBL31568823 0.77 CHRNB4 (0.55) OPRM1OPRL1OPRD1OPRK1
SCHEMBL5187982 0.77 CHRNB4 (0.55) OPRM1OPRL1OPRD1OPRK1
SCHEMBL13403254 0.77 CHRNB4 (0.55) OPRM1OPRL1OPRD1OPRK1
SCHEMBL3538855 0.77 CHRNB4 (0.55) OPRM1OPRL1OPRD1OPRK1
SCHEMBL3538856 0.77 CHRNB4 (0.55) OPRM1OPRL1OPRD1OPRK1
SCHEMBL11463527 0.75 OPRL1 (0.68) OPRM1OPRL1OPRD1OPRK1

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
CN-101573113-A Derivatives of pyridine, indolizine and quinolizine, preparation thereof and therapeutic use thereof SANOFI AVENTIS (FR) 2009-11-04 CN claimed
EP-2077837-A2 DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-07-15 EP claimed
WO-2008037881-A2 DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-04-03 WO claimed
US-20100267766-A1 DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-21 US disclosed
US-7776880-B2 Derivatives of pyrrolizine, indolizine and quinolizine, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-17 US disclosed
CN-101573113-A Derivatives of pyridine, indolizine and quinolizine, preparation thereof and therapeutic use thereof SANOFI AVENTIS (FR) 2009-11-04 CN disclosed
US-20090258899-A1 DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-10-15 US disclosed
EP-2077837-A2 DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-07-15 EP disclosed
WO-2008037881-A2 DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-04-03 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-20090258899-A1 DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INMT, IDO1, NQO2 OPRM1 154/4885OPRL1 647/4885OPRD1 233/4885
US-20100267766-A1 DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INMT, IDO1, NQO2 OPRM1 154/4885OPRL1 647/4885OPRD1 233/4885

“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.