SCHEMBL4826699

SCHEMBL4826699

CN(C)c1cc(-c2cccc(N3CCOCC3)c2)nc2ccc(N)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
AHR P35869 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
HCRTR1 O43613 1/20 0.45
JAK2 O60674 1/20 0.45
ATR Q13535 1/20 0.43
PIK3CA P42336 3/20 0.43
MTOR P42345 2/20 0.43
LRRK2 Q5S007 1/20 0.42
PIK3CD O00329 1/20 0.39
PIK3CG P48736 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
SCHEMBL4823155 0.82 PIK3CA (0.42) MAPTKDM4EALDH1A1AHRHPGD
SCHEMBL4824439 0.78 ADORA2A (0.54) MAPTKDM4EALDH1A1HPGDNPC1
SCHEMBL4820817 0.77 ACP1 (0.43) MAPTKDM4EALDH1A1HPGDNPC1
SCHEMBL4823424 0.76 MAP4K4 (0.43) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL4821618 0.76 ACP1 (0.47) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL14320394 0.72 AGXT (0.56) MAPTGAALMNAJAK2PIK3CA
SCHEMBL14320753 0.70 AGXT (0.54) MAPTALDH1A1GAALMNAJAK2
SCHEMBL6992774 0.69 ADRA2C (0.61) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL29371026 0.69 ADRA2C (0.61) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL224567 0.69 ADRA2C (0.61) MAPTALDH1A1NPC1RAB9AGAA

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-7348340-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2008-03-25 US disclosed
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2007-06-07 US disclosed
US-7189714-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2007-03-13 US disclosed
US-20040077644-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2004-04-22 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-20040077644-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A MAPT 2374/4885KDM4E 4744/4885ALDH1A1 3302/4885
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G MAPT 2113/4885KDM4E 4410/4885ALDH1A1 3919/4885

“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.