SCHEMBL4874758

SCHEMBL4874758

Cn1c(=O)[nH]c(=O)c2ccc(OCC3(c4ccc(Cl)cc4)CCNCC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
MCHR1 Q99705 7/20 0.38
HTR2C P28335 2/20 0.37
SLC6A4 P31645 1/20 0.37
HTR2B P41595 1/20 0.37
SCN9A Q15858 1/20 0.36
TACR1 P25103 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP3 P42574 1/20 0.34
CASP8 Q14790 1/20 0.34
LGMN Q99538 1/20 0.34
HIF1A Q16665 1/20 0.33
PARG Q86W56 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4878135 0.83 CCR5 (0.42) MAOBTACR1
SCHEMBL4874988 0.75 ALDH1A1 (0.50) HTR2CSLC6A4HTR2BSCN9ATACR1
SCHEMBL24808382 0.70 MAT2A (0.49) MAOB
SCHEMBL5198108 0.69 SCN9A (0.36) HTR2CSLC6A4HTR2BSCN9ATACR1
SCHEMBL373790 0.67 SLC6A4 (0.57) HTR2CSLC6A4HTR2BSCN9ATACR1
SCHEMBL4869714 0.64 IP6K1 (0.46) SLC6A4TACR1
SCHEMBL4876064 0.62 AKT2 (0.44) MAOBMCHR1TACR1
SCHEMBL8042316 0.62 DRD2 (0.55) HTR2CSLC6A4TACR1
SCHEMBL27613847 0.61 DRD2 (0.44) SLC6A4SCN9ATACR1CYP1A2CYP2C19
SCHEMBL6027887 0.61 PDE3A (0.50) PARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US claimed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 EP disclosed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 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 (1 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-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders CNKSR1, PRKCH, PRKAR2B MAOB 3430/4885MCHR1 1143/4885HTR2C 3306/4885

“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.