SCHEMBL376507

SCHEMBL376507

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.49
PRSS1 P07477 2/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
TMPRSS6 Q8IU80 2/20 0.49
ST14 Q9Y5Y6 2/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
ITGB3 P05106 12/20 0.42
ITGA2B P08514 12/20 0.42
ALOX15 P16050 1/20 0.40
BCL2L1 Q07817 3/20 0.39
BCL2 P10415 2/20 0.39

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
SCHEMBL1742050 0.86 USP2 (0.49) BCL2L1BCL2
SCHEMBL1743458 0.82 HPGD (0.42)
SCHEMBL376862 0.80 CHRNA10 (0.41)
SCHEMBL376201 0.76 F2 (0.51) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL381714 0.73 F2 (0.48) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL376938 0.72 BCL2L1 (0.48) BCL2L1BCL2
SCHEMBL376937 0.72 BCL2L1 (0.55) BCL2L1BCL2
SCHEMBL386110 0.72 F2 (0.47) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL3555044 0.71 F2 (0.85) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL376668 0.70 F2 (0.45) F2PRSS1PRSS2PRSS3TMPRSS6

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 F2 4874/4885PRSS1 944/4885PRSS2 1637/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD F2 4874/4885PRSS1 944/4885PRSS2 1637/4885

“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.