SCHEMBL2986994

SCHEMBL2986994

NC(c1cccnc1)C1CCCC2CCCCN21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNA7 P36544 1/20 0.38
KCNA5 P22460 3/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
KCNN4 O15554 1/20 0.37
SLC1A2 P43004 2/20 0.36
GAA P10253 1/20 0.36
SLC1A3 P43003 1/20 0.35
KCNH2 Q12809 2/20 0.35
CYP11B2 P19099 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
FAAH O00519 1/20 0.34

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 0.83 OPRM1 (0.43) ALDH1A1
SCHEMBL2989048 0.79 OPRM1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2984883 0.79 OPRM1 (0.44) ALDH1A1
SCHEMBL3959432 0.75 OPRM1 (0.40) KCNH2
SCHEMBL4834221 0.75 OPRD1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL19310680 0.75 SLC6A4 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4290387 0.74 HRH3 (0.52) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3686055 0.74 CYP11B2 (0.49) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3962571 0.73 LMNA (0.37) HRH3
SCHEMBL2482817 0.71 SLC6A4 (0.48) CYP1A2CYP3A4CYP2D6CYP2C19CHRNB2

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-7776880-B2 Derivatives of pyrrolizine, indolizine and quinolizine, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-17 US claimed
CN-101573113-A Derivatives of pyridine, indolizine and quinolizine, preparation thereof and therapeutic use thereof SANOFI AVENTIS (FR) 2009-11-04 CN claimed
US-20090258899-A1 DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-10-15 US 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 ALDH1A1 1508/4885CYP1A2 62/4885CYP3A4 112/4885
US-20100267766-A1 DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INMT, IDO1, NQO2 ALDH1A1 1508/4885CYP1A2 62/4885CYP3A4 112/4885

“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.