SCHEMBL4575372

SCHEMBL4575372

O=C(Nc1ccccc1)C1CCCCN1C(=O)CSCP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.53
HCRTR2 O43614 3/20 0.53
ALDH1A1 P00352 3/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
FKBP1A P62942 1/20 0.45
PABPC1 P11940 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACE P12821 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
NPC1 O15118 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
SCHEMBL14079063 1.00 HCRTR1 (0.53) HCRTR1HCRTR2ALDH1A1CYP2C9CYP2C19
SCHEMBL4575140 0.85 FKBP1A (0.55) ALDH1A1CYP2C9CYP2C19FKBP1AACE
SCHEMBL14079069 0.85 FKBP1A (0.55) ALDH1A1CYP2C9CYP2C19FKBP1AACE
SCHEMBL4575683 0.84 FKBP1A (0.54) ALDH1A1CYP2C9FKBP1AMAPK1
SCHEMBL14079076 0.84 FKBP1A (0.54) ALDH1A1CYP2C9FKBP1AMAPK1
SCHEMBL14079073 0.83 FKBP1A (0.60) FKBP1A
SCHEMBL4575722 0.83 FKBP1A (0.60) FKBP1A
SCHEMBL13865067 0.80 HCRTR1 (0.62) HCRTR1HCRTR2ALDH1A1CYP2C9CYP2C19
SCHEMBL4575519 0.78 POLB (0.44) ALDH1A1CYP2C9FKBP1AMAPK1
SCHEMBL14079060 0.78 POLB (0.44) ALDH1A1CYP2C9FKBP1AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194524-A1 Compounds For the Inhibition of Undesired Cell Proliferation and Use Thereof JERINI AG (DE) 2008-08-14 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 (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-20080194524-A1 Compounds For the Inhibition of Undesired Cell Proliferation and Use Thereof CCNB1, CCNB2, CCNA1 HCRTR1 2199/4885HCRTR2 2740/4885ALDH1A1 1521/4885

“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.