SCHEMBL3607310

SCHEMBL3607310

Clc1nc(CNCCN2CCOCC2)cc(N2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
BACE1 P56817 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 3/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
APP P05067 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3605489 0.83 ALDH1A1 (0.43) LMNAL3MBTL1ALDH1A1CYP2D6CYP1A2
SCHEMBL3600101 0.81 PIK3CB (0.51) LMNAHTTPIK3CAPIK3CBKMT2A
SCHEMBL3596231 0.81 CYP1A2 (0.38) LMNACYP2D6CYP1A2MAPTHTT
SCHEMBL3556149 0.80 LMNA (0.50) LMNABACE1ALDH1A1CYP2D6CYP1A2
SCHEMBL3600948 0.79 PIK3CB (0.54) LMNAHTTPIK3CAPIK3CBKMT2A
SCHEMBL17859942 0.77 CYP1A2 (0.54) LMNAL3MBTL1ALDH1A1CYP2D6CYP1A2
SCHEMBL3938069 0.76 CYP1A2 (0.49) LMNAL3MBTL1ALDH1A1CYP2D6CYP1A2
SCHEMBL2493395 0.76 CYP1A2 (0.49) LMNAL3MBTL1ALDH1A1CYP2D6CYP1A2
SCHEMBL4892371 0.75 PIK3CA (0.48) LMNABACE1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3588014 0.75 PIK3CA (0.51) LMNAALDH1A1CYP2D6CYP1A2MAPT

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 LMNA 4801/4885BACE1 1366/4885L3MBTL1 3839/4885

“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.