SCHEMBL4816004

SCHEMBL4816004

CN(C)c1cc(-c2cccc(Cl)c2)nc2ccc(C3CC3)cc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 9/20 0.44
AVPR1A P37288 4/20 0.39
ADORA2A P29274 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
PFKFB3 Q16875 1/20 0.36

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
Ammonia Solution, Strong SCHEMBL5349695 0.99 ACP1 (0.43) ACP1AVPR1AADORA2ASMN1; SMN2KDM1A
SCHEMBL4822245 0.81 ACP1 (0.47) ACP1
SCHEMBL4823939 0.81 KMT2A (0.49) ACP1AVPR1AADORA2A
SCHEMBL4821618 0.81 ACP1 (0.47) ACP1ADORA2ASMN1; SMN2
SCHEMBL4821056 0.76 NPBWR1 (0.51) ACP1SMN1; SMN2
SCHEMBL4826125 0.68 MAP4K4 (0.43) ACP1
SCHEMBL20923954 0.67 KDM1A (0.68) KDM1AMAOB
SCHEMBL15661355 0.67 PDE4D (0.45) ACP1KDM1AMAOBPFKFB3
SCHEMBL4820817 0.67 ACP1 (0.43) ACP1ADORA2ASMN1; SMN2
SCHEMBL4824439 0.66 ADORA2A (0.54) ACP1ADORA2ASMN1; SMN2

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 2295/4885AVPR1A 412/4885ADORA2A 471/4885
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G ACP1 2923/4885AVPR1A 259/4885ADORA2A 398/4885

“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.