SCHEMBL3289063

SCHEMBL3289063

CC(NC(=O)c1ccccc1)C1CCCN1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.48
SLC6A2 P23975 4/20 0.48
SLC6A4 P31645 3/20 0.48
DHFR P00374 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLR1A O95602 1/20 0.45
BACE1 P56817 1/20 0.45
GPR88 Q9GZN0 1/20 0.44
PREP P48147 1/20 0.43
FAP Q12884 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8586635 0.82 BACE1 (0.48) SLC6A3SLC6A2SLC6A4DHFRLMNA
SCHEMBL3538639 0.82 SLC6A9 (0.56) SLC6A3SLC6A2SLC6A4DHFRLMNA
SCHEMBL8585666 0.79 CTSL (0.45) SLC6A3SLC6A2SLC6A4DHFRLMNA
SCHEMBL8587573 0.79 CTSL (0.45) SLC6A3SLC6A2SLC6A4DHFRLMNA
SCHEMBL8586638 0.79 CTSL (0.45) SLC6A3SLC6A2SLC6A4DHFRLMNA
SCHEMBL8585664 0.79 CTSL (0.45) SLC6A3SLC6A2SLC6A4DHFRLMNA
SCHEMBL1798157 0.78 SLC6A9 (0.61) SLC6A3SLC6A2SLC6A4DHFRLMNA
SCHEMBL3538359 0.77 SLC6A9 (0.60) SLC6A3SLC6A2SLC6A4DHFRLMNA
SCHEMBL27632140 0.77 POLR1A (0.39) POLR1ABACE1
SCHEMBL11240149 0.76 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRLMNA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714019-B2 Indole, azaindole and related heterocyclic pyrrolidine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 US disclosed
US-20090186933-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2009-07-23 US disclosed
US-7531552-B2 Indole, azaindole and related heterocyclic pyrrolidine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
EP-1474135-B9 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2008-08-06 EP disclosed
US-20080096912-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-04-24 US disclosed
EP-1474135-B1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2007-11-21 EP disclosed
US-20060287531-A1 Indole, azaindole and related heterocyclic pyrrolidine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2006-12-21 US disclosed
EP-1474135-A4 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2006-01-18 EP disclosed
EP-1474135-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES Bristol-Myers Squibb Company (US) 2004-11-10 EP disclosed
US-20030236277-A1 Indole, azaindole and related heterocyclic pyrrolidine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-12-25 US disclosed
WO-2003068221-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-21 WO disclosed
WO-1998039295-A1 (R)N-(1-CYCLOPROPYLMETHYLPYRROLIDIN-2-YLMETHYL)BENZAMIDE AND ITS USE AS AN ANTIDIARRHOEAL JOUVEINAL (FR) 1998-09-11 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 (4 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-20080096912-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES IDO1, IDO2, INMT SLC6A3 691/4885SLC6A2 563/4885SLC6A4 372/4885
US-20090186933-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES IDO1, IDO2, INMT SLC6A3 691/4885SLC6A2 563/4885SLC6A4 372/4885
US-20060287531-A1 Indole, azaindole and related heterocyclic pyrrolidine derivatives IDO1, IDO2, INMT SLC6A3 691/4885SLC6A2 563/4885SLC6A4 372/4885
US-20030236277-A1 Indole, azaindole and related heterocyclic pyrrolidine derivatives IDO1, IDO2, INMT SLC6A3 691/4885SLC6A2 563/4885SLC6A4 372/4885

“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.