SCHEMBL6359399

SCHEMBL6359399

CCCCNC(=O)c1cccc(C#N)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.72
NAMPT P43490 1/20 0.61
GAA P10253 2/20 0.59
ADORA2A P29274 2/20 0.58
MAPT P10636 1/20 0.57
HDAC3 O15379 1/20 0.57
MCHR1 Q99705 1/20 0.55
NAAA Q02083 1/20 0.54
GPR139 Q6DWJ6 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 1/20 0.51
GSK3B P49841 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
GRM5 P41594 1/20 0.50
MGLL Q99685 1/20 0.50
KCNA3 P22001 1/20 0.49
EGLN2 Q96KS0 1/20 0.49

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
SCHEMBL12988864 0.91 L3MBTL1 (0.63) SMN1; SMN2NAMPTGAAADORA2AMAPT
SCHEMBL5540070 0.90 NAMPT (0.73) SMN1; SMN2NAMPTGAAHDAC3MCHR1
SCHEMBL19133524 0.86 NAMPT (0.61) SMN1; SMN2NAMPTGAAADORA2AHDAC3
SCHEMBL17623594 0.86 HDAC3 (0.63) SMN1; SMN2NAMPTGAAADORA2AMAPT
SCHEMBL21610884 0.85 NAMPT (0.56) SMN1; SMN2NAMPTGAAADORA2AMAPT
SCHEMBL6203164 0.85 GPR139 (0.57) SMN1; SMN2NAMPTGAAHDAC3MCHR1
SCHEMBL7556161 0.85 NAMPT (0.58) SMN1; SMN2NAMPTGAAHDAC3MCHR1
SCHEMBL16117373 0.85 SMN1; SMN2 (1.00) SMN1; SMN2GAAMAPTNAAAL3MBTL1
SCHEMBL1927040 0.84 SMN1; SMN2 (0.70) SMN1; SMN2NAMPTGAAMAPTNAAA
SCHEMBL13578974 0.83 NAMPT (0.56) SMN1; SMN2NAMPTGAAADORA2AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988477-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2021-04-27 US disclosed
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 SMN1; SMN2 3865/4885NAMPT 3813/4885GAA 1880/4885
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB SMN1; SMN2 4165/4885NAMPT 1736/4885GAA 1077/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 SMN1; SMN2 3865/4885NAMPT 3813/4885GAA 1880/4885
US-10988477-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, EIF2AK1 SMN1; SMN2 3143/4885NAMPT 1853/4885GAA 2016/4885
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR SMN1; SMN2 3489/4885NAMPT 382/4885GAA 133/4885

“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.