SCHEMBL4133081

SCHEMBL4133081

O=C(O)N1CCN(c2ccc(O)cc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.48
ALOX15 P16050 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 3/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL632171 0.85 GRM5 (0.59) GRM5ALOX15KDM4EMAPTKMT2A
SCHEMBL19212228 0.83 ALDH1A1 (0.58) GRM5ALOX15KDM4EMAPTKMT2A
SCHEMBL27664371 0.83 MAPT (0.54) ALOX15KDM4EMAPTKMT2AMEN1
SCHEMBL3922259 0.83 MAPT (0.63) GRM5ALOX15KDM4EMAPTKMT2A
SCHEMBL27610637 0.82 AKR1C3 (0.49) GRM5MAPTKMT2AMEN1LMNA
SCHEMBL23244347 0.81 KMT2A (0.72) GRM5ALOX15MAPTKMT2AMEN1
SCHEMBL29576156 0.81 KMT2A (0.72) GRM5ALOX15MAPTKMT2AMEN1
SCHEMBL4138974 0.80 ALDH1A1 (0.68) GRM5ALOX15KDM4EMAPTKMT2A
SCHEMBL27664252 0.80 SLC6A9 (0.54) ALOX15KDM4EMAPTKMT2AMEN1
SCHEMBL4951947 0.80 ESR2 (0.52) ALOX15MAPTKMT2AMEN1LMNA

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 GRM5 4076/4885ALOX15 949/4885KDM4E 2382/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ GRM5 4076/4885ALOX15 949/4885KDM4E 2382/4885

“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.