SCHEMBL4825593

SCHEMBL4825593

CN(C)c1cc(-c2cccc(F)c2)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 4/20 0.57
ABCG2 Q9UNQ0 3/20 0.51
ADORA2A P29274 2/20 0.49
CYP19A1 P11511 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 2/20 0.43
SLC2A1 P11166 1/20 0.42
BCHE P06276 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NUDT1 P36639 1/20 0.41
ACACA Q13085 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41

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
SCHEMBL6530375 0.90 ACP1 (0.49) ACP1ABCG2ADORA2ACYP19A1LMNA
SCHEMBL6001448 0.86 ACP1 (0.68) ACP1ADORA2ALMNAHPGDSMN1; SMN2
SCHEMBL4031738 0.84 DHODH (0.45) ACP1ABCG2ADORA2A
SCHEMBL4823424 0.84 MAP4K4 (0.43) ACP1ABCG2ADORA2ALMNAHPGD
SCHEMBL4025078 0.84 RXFP1 (0.42) ACP1ABCG2ADORA2AHPGD
SCHEMBL4026356 0.82 NT5E (0.43) ACP1ABCG2ADORA2AHPGDSMN1; SMN2
SCHEMBL4032316 0.81 CYP1A2 (0.46) ACP1ABCG2ADORA2ALMNAHPGD
SCHEMBL4025761 0.80 NT5E (0.44) ACP1ABCG2ADORA2AHPGD
SCHEMBL4022559 0.79 NT5E (0.49) ACP1ABCG2ACHETDP1
SCHEMBL4820926 0.79 ABCG2 (0.51) ABCG2SMN1; SMN2ALDH1A1MAPTTHRB

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-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-20040053964-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2004-03-18 US disclosed
EP-1339706-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP disclosed
WO-2002036586-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-20040053964-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A ACP1 2483/4885ABCG2 1532/4885ADORA2A 317/4885
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G ACP1 2923/4885ABCG2 1064/4885ADORA2A 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.