SCHEMBL2848672

SCHEMBL2848672

CC(=O)Nc1cccc2[nH]c(CCCN(C)C(=O)OC(C)(C)C)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 7/20 0.41
CACNA1C Q13936 2/20 0.41
CACNA1B Q00975 1/20 0.41
KCNH2 Q12809 3/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
HTT P42858 1/20 0.35
PARP1 P09874 1/20 0.35
DHODH Q02127 1/20 0.35
PTGES O14684 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
GLS O94925 1/20 0.34
METAP2 P50579 1/20 0.34
KDM4E B2RXH2 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL2846546 0.84 CHEK1 (0.49) CACNA1GCACNA1CCACNA1BKCNH2CCNE2
SCHEMBL2842599 0.80 CACNA1G (0.43) CACNA1GCACNA1CCACNA1BKCNH2CCNE2
SCHEMBL2846504 0.77 HTT (0.44) NPC1RAB9ACDK2HTTPARP1
SCHEMBL6530094 0.76 NPC1 (0.46) NPC1RAB9ACCNE2CCNE1CDK2
Hydrochloric Acid SCHEMBL2845425 0.76 HTT (0.43) NPC1RAB9ACDK2HTTPARP1
SCHEMBL8326629 0.72 CYP1A2 (0.55) CACNA1GCACNA1CKCNH2NPC1RAB9A
SCHEMBL6943657 0.71 CACNA1G (0.57) CACNA1GCACNA1CCACNA1BNPC1RAB9A
SCHEMBL16186544 0.70 CACNA1G (0.56) CACNA1GCACNA1CCACNA1BCCNE2CCNE1
SCHEMBL6813400 0.70 TDP1 (0.55) CACNA1GCACNA1CCACNA1BKCNH2NPC1
SCHEMBL939474 0.70 CACNA1G (0.53) CACNA1GCACNA1CCACNA1BPARP1

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
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 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 (1 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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A CACNA1G 16/4885CACNA1C 12/4885CACNA1B 2/4885

“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.