SCHEMBL236945

SCHEMBL236945

CC(C)(C)N(C(=O)O)c1c(C=O)ccnc1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
ATR Q13535 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL1699332 0.83 ATR (0.36) ATRLMNASMN1; SMN2KDM4EASPH
SCHEMBL1350020 0.77 ATR (0.34) ATRLMNASMN1; SMN2KDM4EASPH
SCHEMBL23854582 0.75 KDM5A (0.35) ATRKDM4EASPHKDM8
SCHEMBL1160881 0.72 MEN1 (0.33) ATRCNR2
SCHEMBL17601395 0.72 ERN1 (0.39)
SCHEMBL4072497 0.72 KDM4C (0.34) LMNAKDM4E
SCHEMBL14909183 0.72 KDM4E (0.39) ATRLMNASMN1; SMN2KDM4EASPH
SCHEMBL1353016 0.72 TRIM24 (0.41) LMNASMN1; SMN2KDM4E
SCHEMBL1119415 0.72 ALDH1A1 (0.32) LMNAKDM4E
SCHEMBL238763 0.71 SMN1; SMN2 (0.46) LMNASMN1; SMN2KDM4E

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-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 CCR1 4833/4885CCR5 3560/4885CCR8 4845/4885

“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.