SCHEMBL4873643

SCHEMBL4873643

CC(C)(C)OC(=O)N1CCC(COc2ccc3c(=O)[nH]cnc3c2)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
ADAM17 P78536 1/20 0.40
TACR1 P25103 1/20 0.40
CCR5 P51681 6/20 0.38
CNR1 P21554 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
TNKS O95271 2/20 0.37
PARP1 P09874 2/20 0.37
TNKS2 Q9H2K2 2/20 0.37
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36

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
SCHEMBL4874988 0.81 ALDH1A1 (0.50) ALDH1A1TACR1PARP1TNKS2KDR
SCHEMBL4878135 0.81 CCR5 (0.42) TACR1CCR5MEN1KMT2APARP1
SCHEMBL4871933 0.80 ALDH1A1 (0.40) ALDH1A1ADAM17CNR1MEN1KMT2A
SCHEMBL4871940 0.80 ALDH1A1 (0.40) ALDH1A1ADAM17CNR1MEN1KMT2A
SCHEMBL16596214 0.78 CHEK2 (0.51)
SCHEMBL18130499 0.74 SLC2A1 (0.43) ADAM17PARP1OPRD1OPRK1
SCHEMBL973548 0.74 MEN1 (0.52) TACR1CCR5MEN1KMT2AOPRD1
SCHEMBL17886665 0.73 MEN1 (0.53) ALDH1A1TACR1CCR5MEN1KMT2A
SCHEMBL652130 0.73 MEN1 (0.53) TACR1CCR5MEN1KMT2AOPRD1
SCHEMBL1003431 0.72 MEN1 (0.52) TACR1CCR5MEN1KMT2AOPRD1

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 5 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 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 ALDH1A1 4843/4885ADAM17 4817/4885TACR1 2519/4885

“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.