SCHEMBL6358229

SCHEMBL6358229

CCCNC(=O)c1c(C)cccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
F2R P25116 1/20 0.50
POLB P06746 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA2 P47869 2/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
ALDH2 P05091 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4610435 0.89 SMN1; SMN2 (0.62) L3MBTL1F2RALDH1A1SMN1; SMN2TSHR
SCHEMBL14454110 0.88 NPC1 (0.53) L3MBTL1CYP1A2CYP2C9F2RPOLB
SCHEMBL4141231 0.84 L3MBTL1 (0.50) L3MBTL1F2RALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL8180911 0.83 KDM4E (0.49) L3MBTL1ALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL18486988 0.81 SCN1A (0.46) L3MBTL1CYP1A2CYP2C9F2RALDH1A1
SCHEMBL14469883 0.81 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP2C9POLBALDH1A1
SCHEMBL18646228 0.80 HPGD (0.55) L3MBTL1POLBALDH1A1SMN1; SMN2TSHR
SCHEMBL2228385 0.80 MEN1 (0.54) L3MBTL1POLBALDH1A1SMN1; SMN2TSHR
SCHEMBL27362943 0.80 HTT (0.56) CYP1A2ALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL10289215 0.79 ALDH1A1 (0.57) L3MBTL1POLBALDH1A1SMN1; SMN2TSHR

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-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 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-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 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 (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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 L3MBTL1 3806/4885CYP1A2 1121/4885CYP2C9 1481/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR L3MBTL1 3663/4885CYP1A2 643/4885CYP2C9 1518/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 L3MBTL1 1652/4885CYP1A2 3990/4885CYP2C9 4129/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 L3MBTL1 3806/4885CYP1A2 1121/4885CYP2C9 1481/4885

“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.