SCHEMBL3451622

SCHEMBL3451622

CN1CCN(Cc2ccc([O])cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
MC4R P32245 1/20 0.66
CHKA P35790 7/20 0.62
CA2 P00918 1/20 0.59
NCF1 P14598 1/20 0.59
PRMT6 Q96LA8 1/20 0.59
HDAC6 Q9UBN7 1/20 0.58
ALDH1A1 P00352 1/20 0.56
NPC1 O15118 2/20 0.53
TP53 P04637 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HRH3 Q9Y5N1 3/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL2056138 0.82 LMNA (0.69) LMNAMC4RCHKACA2NCF1
SCHEMBL82686 0.82 LMNA (0.71) LMNAMC4RCHKACA2NCF1
SCHEMBL306744 0.82 LMNA (0.69) LMNAMC4RCHKACA2NCF1
SCHEMBL5345661 0.81 HRH3 (0.74) NCF1HDAC6ALDH1A1KDM4EHRH3
SCHEMBL14058810 0.81 LMNA (0.62) LMNAMC4RCHKACA2NCF1
SCHEMBL1507008 0.80 LMNA (0.67) LMNAMC4RCHKACA2NCF1
SCHEMBL55983 0.80 LMNA (1.00) LMNAMC4RCHKACA2NCF1
SCHEMBL6072982 0.80 LMNA (0.67) LMNAMC4RCHKACA2NCF1
SCHEMBL578497 0.80 LMNA (0.67) LMNAMC4RCHKACA2NCF1
SCHEMBL21477255 0.80 LMNA (0.67) LMNAMC4RCHKACA2NCF1

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-7820818-B2 Heteroaryl nitrile derivatives NOVARTIS AG (CH) 2010-10-26 US disclosed
US-20090227596-A1 HETEROARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2009-09-10 US disclosed
US-7544688-B2 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2009-06-09 US disclosed
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-1537111-B1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2007-05-02 EP disclosed
US-20060142575-A1 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2006-06-29 US 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 (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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ LMNA 4184/4885MC4R 3880/4885CHKA 854/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ LMNA 4184/4885MC4R 3880/4885CHKA 854/4885
US-20090227596-A1 HETEROARYL NITRILE DERIVATIVES CTSK, CTSS, CTSZ LMNA 3229/4885MC4R 1657/4885CHKA 213/4885
US-20060142575-A1 Hetereoaryl nitrile derivatives CTSK, CTSZ, CTSE LMNA 3123/4885MC4R 1671/4885CHKA 339/4885

“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.