SCHEMBL3608107

SCHEMBL3608107

Clc1nc(NC2CCN(Cc3ccccc3)CC2)cc(N2CCOCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.50
HRH3 Q9Y5N1 1/20 0.50
PIK3CB P42338 4/20 0.47
PIK3CA P42336 2/20 0.46
EHMT2 Q96KQ7 2/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
BACE1 P56817 1/20 0.45
ROCK2 O75116 1/20 0.44
CCR2 P41597 1/20 0.44
ROCK1 Q13464 1/20 0.44

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 0.83 HRH3 (0.59) ACHEHRH3KDM4EGAAMAPT
SCHEMBL3407025 0.77 PIK3CA (0.49) ACHEHRH3PIK3CAEHMT2KDM4E
SCHEMBL25013983 0.76 PIK3CB (0.43) ACHEPIK3CBPIK3CAEHMT2BACE1
SCHEMBL25014025 0.76 ACHE (0.49) ACHEPIK3CBPIK3CAEHMT2BACE1
SCHEMBL25013984 0.75 KDM1A (0.48) ACHEPIK3CBEHMT2BACE1
SCHEMBL25013924 0.75 PIK3CB (0.45) ACHEPIK3CBPIK3CAEHMT2BACE1
SCHEMBL25013933 0.75 CXCR4 (0.45) ACHEPIK3CBEHMT2BACE1
SCHEMBL25013943 0.75 CXCR4 (0.44) ACHEPIK3CBPIK3CAEHMT2BACE1
SCHEMBL6980975 0.75 HRH3 (0.76) ACHEHRH3KDM4EGAABACE1
SCHEMBL25014024 0.74 PIK3CB (0.42) ACHEHRH3PIK3CBPIK3CAEHMT2

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 3051/4885HRH3 1633/4885PIK3CB 9/4885

“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.