SCHEMBL376920

SCHEMBL376920

N#Cc1ccc(N2CCC(O)(Cc3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.57
KCNH2 Q12809 1/20 0.53
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
PIK3CA P42336 2/20 0.43
MTOR P42345 2/20 0.43
NR3C1 P04150 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
GRIN1 Q05586 2/20 0.42
CHRM4 P08173 2/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 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
SCHEMBL21500938 0.85 AR (0.44) ARKCNH2OPRM1OPRD1OPRK1
SCHEMBL377048 0.82 CHRNA10 (0.42) ARKCNH2OPRM1OPRD1OPRK1
SCHEMBL376861 0.82 KCNH2 (0.41) ARKCNH2OPRM1OPRD1OPRK1
SCHEMBL381688 0.80 KCNH2 (0.50) ARKCNH2POLBKDM4ETP53
SCHEMBL2950781 0.79 OPRM1 (0.50) AROPRM1OPRD1OPRK1OPRL1
SCHEMBL22678127 0.78 OPRL1 (0.49) AROPRM1OPRD1OPRK1OPRL1
SCHEMBL7331564 0.77 GRIN2B (0.53) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL29090711 0.77 POLB (0.45) KCNH2POLBKDM4ETP53CHRNA10
SCHEMBL9053033 0.75 OPRM1 (0.46) AROPRM1OPRD1OPRK1OPRL1
SCHEMBL377037 0.75 KDM4E (0.52) ARKCNH2KDM4ETP53CHRNA10

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 8 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
EP-1765778-A2 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2007-03-28 EP disclosed
WO-2005117543-A2 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2005-12-15 WO 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 AR 2112/4885KCNH2 4251/4885OPRM1 3671/4885
US-20050272744-A1 N-sulfonylcarboximidamide apoptosis promoters BAX, BCL2, BAD AR 2112/4885KCNH2 4251/4885OPRM1 3671/4885

“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.