SCHEMBL4823155

SCHEMBL4823155

CN(C)c1cc(-c2cccc(N3CCOCC3)c2)nc2ccc(NC3CC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
AHR P35869 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
HCRTR1 O43613 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
MAPK8 P45983 2/20 0.40
MAPK10 P53779 2/20 0.40
CAMK2D Q13557 1/20 0.40
AKT1 P31749 2/20 0.40
SYK P43405 2/20 0.40

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
SCHEMBL4826699 0.82 MAPT (0.46) PIK3CAMAPTKDM4EALDH1A1AHR
SCHEMBL4822245 0.80 ACP1 (0.47)
SCHEMBL4826125 0.80 MAP4K4 (0.43) KDM4E
SCHEMBL18294643 0.65 AHR (0.54) PIK3CAMAPTKDM4EALDH1A1AHR
SCHEMBL18296346 0.64 PIK3CA (0.56) PIK3CAMAPTKDM4EALDH1A1AHR
SCHEMBL27939568 0.64 PIK3CA (0.53) PIK3CAMAPTKDM4EALDH1A1AHR
SCHEMBL27921010 0.64 GAK (0.52) PIK3CAMAPTKDM4EALDH1A1AHR
SCHEMBL25039362 0.63 FLT3 (0.48) MAPTKDM4EALDH1A1MAPK1LMNA
SCHEMBL11210288 0.63 LMNA (0.68) ALDH1A1HPGDMAPK1LMNA
SCHEMBL14492255 0.62 GAA (0.47) MAPTKDM4EALDH1A1MAPK1TDP1

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 6 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
EP-1339688-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP disclosed
WO-2002036567-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-05-10 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 (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 PIK3CA 3027/4885MAPT 2374/4885KDM4E 4744/4885
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G PIK3CA 2703/4885MAPT 2113/4885KDM4E 4410/4885

“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.