SCHEMBL3611907

SCHEMBL3611907

Clc1cc(Cl)nc(NC2CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.61
BACE1 P56817 6/20 0.59
HRH3 Q9Y5N1 1/20 0.58
EZH2 Q15910 1/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
BCHE P06276 1/20 0.55
ROCK2 O75116 1/20 0.54
CCR2 P41597 1/20 0.54
ROCK1 Q13464 1/20 0.54
KDM1A O60341 1/20 0.53
EHMT2 Q96KQ7 1/20 0.53
RCOR1 Q9UKL0 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
NTSR1 P30989 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MCHR1 Q99705 1/20 0.53

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
SCHEMBL3603394 0.84 HRH3 (0.59) ACHEBACE1HRH3EZH2KDM4E
SCHEMBL5432812 0.81 ACHE (0.69) ACHEBACE1HRH3KDM4EGAA
SCHEMBL13793117 0.79 LMNA (0.61) ACHEBACE1HRH3KDM4EGAA
SCHEMBL8299951 0.78 ACHE (0.57) ACHEBACE1HRH3KDM4EGAA
SCHEMBL6980975 0.77 HRH3 (0.76) ACHEBACE1HRH3KDM4EGAA
SCHEMBL918426 0.77 KDM4E (0.66) ACHEBACE1KDM4EGAABCHE
SCHEMBL16538514 0.77 ACHE (0.60) ACHEBACE1HRH3KDM4EGAA
SCHEMBL2821246 0.77 ACHE (0.73) ACHEBACE1HRH3KDM4EGAA
SCHEMBL7690364 0.77 ACHE (0.64) ACHEBACE1HRH3KDM4EGAA
SCHEMBL924357 0.75 ACHE (0.68) ACHEBACE1KDM4EGAABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 ACHE 3051/4885BACE1 1366/4885HRH3 1633/4885

“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.