SCHEMBL4520995

SCHEMBL4520995

CN(C[C]=O)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ADH1A P07327 7/20 0.38
ADH1C P00326 5/20 0.38
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADH4 P08319 1/20 0.31
ABCB11 O95342 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL740408 0.98 ADH1A (0.41) HRH4HRH3ADH1AADH1CKDM4E
SCHEMBL7742694 0.98 ADH1A (0.41) HRH4HRH3ADH1AADH1CKDM4E
SCHEMBL22636064 0.90
SCHEMBL15600812 0.74 HRH4 (0.37) HRH4HRH3ADH1AADH1CKDM4E
SCHEMBL4973138 0.74 HRH4 (0.41) HRH4HRH3ADH1AADH1CKDM4E
SCHEMBL3954034 0.73 ADH1A (0.36) ADH1AADH1CALDH1A1ADH4CYP2D6
SCHEMBL13296390 0.71 HRH3 (0.39) HRH4HRH3ADH1AADH1CKDM4E
SCHEMBL7535576 0.70 ADH1A (0.46) HRH4HRH3ADH1AADH1CKDM4E
SCHEMBL6039709 0.70 ADH1A (0.33) ADH1AADH1CALDH1A1ADH4
SCHEMBL7691331 0.69 HRH3 (0.48) HRH4HRH3ADH1AADH1CKDM4E

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-20090270390-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA (SE) 2009-10-29 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-20090270390-A1 PYRIMIDINE DERIVATIVES TYMP, DPYD, TYMS HRH4 783/4885HRH3 551/4885ADH1A 2029/4885

“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.