SCHEMBL4575683

SCHEMBL4575683

O=C(NCCc1ccccc1)C1CCCCN1C(=O)CSCP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.54
POLB P06746 1/20 0.52
ATM Q13315 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
F2 P00734 1/20 0.47
TAAR1 Q96RJ0 2/20 0.46

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
SCHEMBL14079076 1.00 FKBP1A (0.54) FKBP1APOLBATMMEN1KMT2A
SCHEMBL4575722 0.94 FKBP1A (0.60) FKBP1APOLB
SCHEMBL14079073 0.94 FKBP1A (0.60) FKBP1APOLB
SCHEMBL14079069 0.91 FKBP1A (0.55) FKBP1APOLBCYP3A4CYP2C9ALDH1A1
SCHEMBL4575140 0.91 FKBP1A (0.55) FKBP1APOLBCYP3A4CYP2C9ALDH1A1
SCHEMBL14079060 0.89 POLB (0.44) FKBP1APOLBATMMEN1KMT2A
SCHEMBL4575519 0.89 POLB (0.44) FKBP1APOLBATMMEN1KMT2A
SCHEMBL4575372 0.84 HCRTR1 (0.53) FKBP1ACYP2C9ALDH1A1MAPK1
SCHEMBL14079063 0.84 HCRTR1 (0.53) FKBP1ACYP2C9ALDH1A1MAPK1
SCHEMBL8102664 0.79 FKBP1A (0.64) FKBP1APOLBATMMEN1KMT2A

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 FKBP1A 1404/4885POLB 449/4885ATM 1318/4885

“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.