SCHEMBL3284280

SCHEMBL3284280

NC(=O)C1CCN(C(=O)c2ccccc2)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.68
HTT P42858 1/20 0.63
GLA P06280 1/20 0.61
HSD17B10 Q99714 1/20 0.61
ACHE P22303 1/20 0.57
EPHX2 P34913 1/20 0.56
PDK2 Q15119 1/20 0.55
MGLL Q99685 1/20 0.55
HSD11B1 P28845 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HPGD P15428 1/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
EPHX1 P07099 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL16695142 1.00 SMN1; SMN2 (0.68) SMN1; SMN2HTTGLAHSD17B10ACHE
SCHEMBL22622323 0.92 GLA (0.70) SMN1; SMN2HTTGLAHSD17B10PDK2
SCHEMBL4724682 0.91 SMN1; SMN2 (0.66) SMN1; SMN2HTTGLAHSD17B10ACHE
SCHEMBL3319140 0.91 HSD17B10 (0.74) SMN1; SMN2HTTGLAHSD17B10HPGD
SCHEMBL3319143 0.91 HSD17B10 (0.74) SMN1; SMN2HTTGLAHSD17B10HPGD
SCHEMBL9029952 0.90 SMN1; SMN2 (0.82) SMN1; SMN2HTTACHEMGLLHSD11B1
SCHEMBL16695294 0.87 ACHE (0.60) SMN1; SMN2ACHEEPHX2PDK2MGLL
SCHEMBL27812707 0.86 SMN1; SMN2 (0.58) SMN1; SMN2HTTGLAHSD17B10ACHE
SCHEMBL22622475 0.86 GLA (0.72) SMN1; SMN2HTTGLAHSD17B10MEN1
SCHEMBL1719734 0.85 MGLL (0.68) ACHEEPHX2MGLLHSD11B1MEN1

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 11 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

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 SMN1; SMN2 4835/4885HTT 1086/4885GLA 4283/4885
US-20090186933-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES IDO1, IDO2, INMT SMN1; SMN2 4835/4885HTT 1086/4885GLA 4283/4885
US-20060287531-A1 Indole, azaindole and related heterocyclic pyrrolidine derivatives IDO1, IDO2, INMT SMN1; SMN2 4835/4885HTT 1086/4885GLA 4283/4885
US-20030236277-A1 Indole, azaindole and related heterocyclic pyrrolidine derivatives IDO1, IDO2, INMT SMN1; SMN2 4835/4885HTT 1086/4885GLA 4283/4885

“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.