SCHEMBL4822245

SCHEMBL4822245

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 9/20 0.47
MAP4K4 O95819 2/20 0.44
TERT O14746 1/20 0.41
PIM1 P11309 3/20 0.40
ADRA2A P08913 1/20 0.40
MCHR1 Q99705 1/20 0.40
ADORA1 P30542 1/20 0.40
HTR1A P08908 2/20 0.40
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
HTR2C P28335 2/20 0.40
HTR7 P34969 2/20 0.40
HTR2B P41595 2/20 0.40
HTR6 P50406 2/20 0.40
PIM2 Q9P1W9 1/20 0.38
TRPA1 O75762 1/20 0.38

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
SCHEMBL4826125 0.87 MAP4K4 (0.43) ACP1MAP4K4ADRA2AMCHR1HTR6
SCHEMBL4816004 0.81 ACP1 (0.44) ACP1
SCHEMBL4823155 0.80 PIK3CA (0.42)
Ammonia Solution, Strong SCHEMBL5349695 0.80 ACP1 (0.43) ACP1
SCHEMBL4823939 0.78 KMT2A (0.49) ACP1
SCHEMBL4821618 0.78 ACP1 (0.47) ACP1MAP4K4
SCHEMBL4821056 0.73 NPBWR1 (0.51) ACP1
SCHEMBL4817705 0.69 ACP1 (0.52) ACP1MAP4K4TERT
SCHEMBL4176467 0.66 FADS1 (0.54) MAP4K4HTR6
SCHEMBL15757055 0.65 NUDT1 (0.63) MAP4K4PIM1ADORA1PIM2TRPA1

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 ACP1 2295/4885MAP4K4 3940/4885TERT 4677/4885
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G ACP1 2923/4885MAP4K4 3070/4885TERT 4557/4885

“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.