SCHEMBL2952076

SCHEMBL2952076

COc1cc(CCN2CCN(C)CC2)ccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
SIGMAR1 Q99720 3/20 0.47
EBP Q15125 2/20 0.47
TMEM97 Q5BJF2 1/20 0.47
CHRM3 P20309 1/20 0.47
EBPL Q9BY08 1/20 0.47
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER2 P43116 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL2948029 0.93 EBP (0.51) ADRB1ADRB3SIGMAR1EBPTMEM97
SCHEMBL2949961 0.90 CHKA (0.56) ADRB1ADRB3SIGMAR1EBPTMEM97
SCHEMBL2948792 0.90 ABCB1 (0.53) ABCB1ABCC1
SCHEMBL2943659 0.86 KDM1A (0.47) ADRB1ADRB3
SCHEMBL2948523 0.86 CHRM3 (0.48) ADRB1ADRB3SIGMAR1EBPTMEM97
SCHEMBL2950817 0.84 CHKA (0.54) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL2946575 0.83 BCL2 (0.52) ADRB1ADRB3SIGMAR1EBPTMEM97
SCHEMBL6794657 0.82 SIGMAR1 (0.50) SIGMAR1EBPTMEM97EBPLKCNJ1
SCHEMBL2950934 0.80 MEN1 (0.47) ADRB1ADRB3SIGMAR1EBPTMEM97
SCHEMBL2634014 0.80 SIGMAR1 (0.56) SIGMAR1EBPTMEM97KCNJ1KCNH2

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-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 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 (3 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-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ADRB1 4573/4885ADRB3 4640/4885SIGMAR1 3665/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ADRB1 4520/4885ADRB3 4671/4885SIGMAR1 3638/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ADRB1 4702/4885ADRB3 4615/4885SIGMAR1 4265/4885

“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.