SCHEMBL2341978

SCHEMBL2341978

CC(=O)N1CCCC1CN

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHRM2 P08172 7/20 0.42
CHRM4 P08173 7/20 0.42
CHRM5 P08912 7/20 0.42
CHRM1 P11229 7/20 0.42
CHRM3 P20309 7/20 0.42
DPP4 P27487 2/20 0.41
FAP Q12884 2/20 0.41
PREP P48147 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL12507005 1.00 POLB (0.47) POLBL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL13003862 1.00 POLB (0.47) POLBL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL17366260 0.94 CHRM2 (0.45) POLBL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL24260483 0.85 POLB (0.53) POLBL3MBTL1DPP4FAPPREP
SCHEMBL2706064 0.83 POLB (0.50) POLBL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL3489993 0.82 POLB (0.48) POLBL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL10118444 0.82 POLB (0.48) POLBL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL3478725 0.82 POLB (0.48) POLBL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL12136792 0.82 POLB (0.70) POLBL3MBTL1CHRM2CHRM4CHRM5
SCHEMBL1597060 0.82 POLB (0.48) POLBL3MBTL1DPP4FAPPREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US claimed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
US-9493444-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2016-11-15 US disclosed
US-9493444-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2016-11-15 US disclosed
EP-2807154-B1 AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-12-23 EP disclosed
US-20150005294-A1 AZAHETEROCYCLIC COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-01-01 US disclosed
US-20150005294-A1 AZAHETEROCYCLIC COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-01-01 US disclosed
WO-2013110433-A1 AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2013-08-01 WO disclosed
US-8097618-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2012-01-17 US disclosed
US-20110190276-A1 Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2011-08-04 US disclosed
US-7919491-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
WO-2010149684-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-29 WO disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
US-20100152175-A1 Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders GLAXOSMITHKLINE LLC (US) 2010-06-17 US disclosed
US-7683056-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2010-03-23 US disclosed
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2008-10-30 US disclosed
US-4695574-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1987-09-22 US 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 (5 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-20110190276-A1 Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders NDUFB7, NDUFB6, GABRE POLB 2084/4885L3MBTL1 3970/4885CHRM2 766/4885
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 POLB 1500/4885L3MBTL1 4287/4885CHRM2 4129/4885
US-20150005294-A1 AZAHETEROCYCLIC COMPOUNDS PCNA, CDKN1A, CCNC POLB 167/4885L3MBTL1 3453/4885CHRM2 4529/4885
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders SLC6A3, NDUFS5, NDUFB6 POLB 3253/4885L3MBTL1 4767/4885CHRM2 788/4885
US-20100152175-A1 Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders CHRNA7, NR3C2, CHRNA6 POLB 3030/4885L3MBTL1 2427/4885CHRM2 90/4885

“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.