SCHEMBL4227879

SCHEMBL4227879

CCOC(=O)c1cnc(N[C@@H]2CCCN(CC3CCCCC3)C2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 14/20 0.47
MAPT P10636 1/20 0.44
GRM5 P41594 4/20 0.43
JAK1 P23458 1/20 0.42
JAK3 P52333 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
SCHEMBL4232969 1.00 P2RY12 (0.47) P2RY12MAPTGRM5JAK1JAK3
SCHEMBL4226204 0.85 P2RY12 (0.54) P2RY12
SCHEMBL4221919 0.84 P2RY12 (0.51) P2RY12MAPT
SCHEMBL4221758 0.83 MAPT (0.46) P2RY12MAPTJAK1JAK3
SCHEMBL5170561 0.83 MAPT (0.46) P2RY12MAPTJAK1JAK3
SCHEMBL4520763 0.83 MAPT (0.46) P2RY12MAPTJAK1JAK3
SCHEMBL5172104 0.80 P2RY12 (0.44) P2RY12GRM5
SCHEMBL4218823 0.79 P2RY12 (0.45) P2RY12MAPTGRM5JAK1JAK3
SCHEMBL4217900 0.79 P2RY12 (0.55) P2RY12
SCHEMBL4233931 0.79 P2RY12 (0.55) P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 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 (2 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 P2RY12 4728/4885MAPT 3433/4885GRM5 855/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 P2RY12 4581/4885MAPT 3316/4885GRM5 693/4885

“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.