SCHEMBL376862

SCHEMBL376862

COC1(CC2CCCCC2)CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
HTR7 P34969 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
HTR6 P50406 1/20 0.38
MEN1 O00255 6/20 0.37
CTSB P07858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCR5 P51681 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
SCHEMBL388419 0.81 KDM4E (0.43) CHRNA10CHRNA9KDM4ETP53CTSS
SCHEMBL1742050 0.80 USP2 (0.49) KDM4EMEN1
SCHEMBL6134966 0.79 KDM4E (0.43) CHRNA10CHRNA9KDM4ETP53CTSS
SCHEMBL1743458 0.76 HPGD (0.42) MEN1NPSR1
SCHEMBL381688 0.75 KCNH2 (0.50) CHRNA10CHRNA9KDM4ETP53HRH3
SCHEMBL12126935 0.74 KDM4E (0.53) CHRNA10CHRNA9KDM4ETP53HTR7
SCHEMBL22848101 0.72 SIGMAR1 (0.52) KDM4ETP53HTR7HRH3MEN1
SCHEMBL22848081 0.72 SIGMAR1 (0.52) KDM4ETP53HTR7HRH3MEN1
SCHEMBL22848077 0.72 SIGMAR1 (0.52) KDM4ETP53HTR7HRH3MEN1
SCHEMBL376293 0.72 CHRNA10 (0.40) CHRNA10CHRNA9KDM4ETP53HTR7

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
EP-1765778-B1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2012-01-25 EP disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES 2010-02-11 US disclosed
US-7585858-B2 N-sulfonylcarboximidamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-09-08 US disclosed
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters ABBVIE INC. 2005-12-08 US 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-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD CHRNA10 4259/4885CHRNA9 4345/4885KDM4E 1408/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD CHRNA10 4259/4885CHRNA9 4345/4885KDM4E 1408/4885

“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.