SCHEMBL3568256

SCHEMBL3568256

CCNC(=O)C1CC2CC(C1)c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
OPRM1 P35372 6/20 0.40
ALDH1A1 P00352 2/20 0.39
CCR8 P51685 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP46A1 Q9Y6A2 1/20 0.38
USP2 O75604 2/20 0.38
HPGD P15428 1/20 0.38
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.36
BRD4 O60885 1/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 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
SCHEMBL3558573 0.77 USP2 (0.52) CHRNB4CHRNA3SMN1; SMN2USP2HPGD
SCHEMBL6736256 0.75 CHRNB2 (0.47) CHRNB4CHRNA3ALDH1A1SMN1; SMN2TSHR
SCHEMBL8672028 0.74 TP53 (0.48) OPRM1ALDH1A1CCR8RXFP1CYP46A1
SCHEMBL15540756 0.70 CHRNB2 (0.45) CHRNB4CHRNA3ALDH1A1SMN1; SMN2TSHR
SCHEMBL19905660 0.70 CHRNB2 (0.43) CHRNB4CHRNA3ALDH1A1SMN1; SMN2TSHR
SCHEMBL18029397 0.70 HDAC4 (0.51) OPRM1
SCHEMBL13275734 0.70 CTSD (0.45) OPRM1ALDH1A1CCR8USP2HPGD
SCHEMBL13275735 0.70 CTSD (0.45) OPRM1ALDH1A1CCR8USP2HPGD
SCHEMBL22812324 0.69 BRD4 (0.36) OPRM1ALDH1A1HSP90AA1HSP90AB1TSHR
SCHEMBL24973925 0.69 CHRNB2 (0.42) CHRNB4CHRNA3OPRM1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820648-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2010-10-26 US disclosed
US-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC 2008-09-25 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-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH CCNB1, TYMS, CCNA1 CHRNB4 4782/4885CHRNA3 3731/4885OPRM1 1627/4885

“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.