SCHEMBL3999941

SCHEMBL3999941

CN1CCN(C(=O)CCc2cccc(O)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ME2 P23368 2/20 0.52
ME1 P48163 2/20 0.52
ME3 Q16798 2/20 0.52
NPC1 O15118 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TSHR P16473 2/20 0.50
POLB P06746 2/20 0.50
KDM1A O60341 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 1/20 0.48
FKBP1A P62942 1/20 0.48
EPHX2 P34913 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL4377866 0.87 TSHR (0.55) ME2ME1ME3NPC1TDP1
SCHEMBL2377039 0.84 OPRD1 (0.56) NPC1TDP1TSHRPOLBKDM1A
SCHEMBL3896838 0.84 NPC1 (0.50) ME2ME1ME3NPC1TDP1
SCHEMBL31512422 0.84 TSHR (0.66) ME2ME1ME3NPC1TDP1
SCHEMBL10163014 0.83 NPC1 (0.73) ME2ME1ME3NPC1TDP1
SCHEMBL8326447 0.82 SIGMAR1 (0.66) KMT2AFKBP1AGAA
SCHEMBL3155351 0.81 SIGMAR1 (0.58) NPC1POLBL3MBTL1KMT2A
SCHEMBL9346536 0.81 IAPP (0.53) NPC1TDP1TSHRKMT2A
SCHEMBL31512450 0.81 ALDH1A1 (0.58) ME2ME1ME3TSHRPOLB
SCHEMBL31512444 0.81 LMNA (0.60) POLBL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547779-B2 Preparation of 1,6-disubstituted azabenzimidazoles as kinase inhibitors GLAXO GROUP LIMITED (GB) 2009-06-16 US disclosed
EP-1675552-A4 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2009-06-03 EP disclosed
US-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-09-25 US disclosed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors TNK2, ROCK1, ARHGDIB ME2 2779/4885ME1 2673/4885ME3 2854/4885

“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.