SCHEMBL4227153

SCHEMBL4227153

Cc1ccc(CN2CC[C@@H](Nc3cnc(C=CC(=O)O)cn3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
BACE1 P56817 3/20 0.46
BCHE P06276 2/20 0.46
ROCK2 O75116 5/20 0.45
CCR2 P41597 2/20 0.43
MCHR1 Q99705 2/20 0.43
ENPP2 Q13822 1/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
JAK1 P23458 2/20 0.41
JAK2 O60674 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL4227139 1.00 ACHE (0.46) ACHEBACE1BCHEROCK2CCR2
SCHEMBL4225336 0.94 ROCK2 (0.47) ACHEBACE1BCHEROCK2CCR2
SCHEMBL4225331 0.94 ROCK2 (0.47) ACHEBACE1BCHEROCK2CCR2
SCHEMBL4233874 0.91 JAK2 (0.47) ACHEBACE1BCHEROCK2CCR2
SCHEMBL4233884 0.91 JAK2 (0.47) ACHEBACE1BCHEROCK2CCR2
SCHEMBL4227610 0.91 SIGMAR1 (0.49) ACHEBACE1BCHEROCK2CCR2
SCHEMBL4227618 0.91 SIGMAR1 (0.49) ACHEBACE1BCHEROCK2CCR2
SCHEMBL4217704 0.91 HDAC1 (0.47) ACHEBACE1BCHEROCK2CCR2
SCHEMBL4217712 0.91 HDAC1 (0.47) ACHEBACE1BCHEROCK2CCR2
SCHEMBL4227935 0.90 PRKAA2 (0.47) ACHEBACE1BCHEROCK2CCR2

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 ACHE 4051/4885BACE1 1929/4885BCHE 3123/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 ACHE 3895/4885BACE1 1821/4885BCHE 3460/4885

“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.