SCHEMBL4137101

SCHEMBL4137101

CCOc1ccc(N2CCN(C(=O)O)CC2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 10/20 0.53
ALDH1A1 P00352 6/20 0.53
LMNA P02545 5/20 0.53
TSHR P16473 4/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ACACB O00763 3/20 0.48
HTT P42858 2/20 0.48
POLB P06746 1/20 0.46
NPY2R P49146 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL20521460 0.88 TSHR (0.55) L3MBTL1MAPTALDH1A1LMNATSHR
SCHEMBL4137201 0.85 L3MBTL1 (0.56) L3MBTL1MAPTALDH1A1LMNATSHR
SCHEMBL20521287 0.82 ALDH1A1 (0.45) L3MBTL1MAPTALDH1A1LMNATSHR
SCHEMBL20521527 0.82 ALDH1A1 (0.45) L3MBTL1MAPTALDH1A1LMNATSHR
SCHEMBL20521529 0.82 ALDH1A1 (0.45) L3MBTL1MAPTALDH1A1LMNATSHR
SCHEMBL6371342 0.82 MAPT (0.46) L3MBTL1MAPTALDH1A1LMNATSHR
SCHEMBL5204252 0.80 ALDH1A1 (0.51) L3MBTL1MAPTALDH1A1LMNATSHR
SCHEMBL4136873 0.78 ACACB (0.44) L3MBTL1MAPTALDH1A1LMNATSHR
SCHEMBL4130127 0.78 HTR3E (0.49) ACACB
SCHEMBL6370907 0.78 MAPT (0.53) L3MBTL1MAPTALDH1A1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 EP disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ L3MBTL1 4696/4885MAPT 2976/4885ALDH1A1 2931/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ L3MBTL1 4696/4885MAPT 2976/4885ALDH1A1 2931/4885

“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.