SCHEMBL2952979

SCHEMBL2952979

COC1(Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
CYP46A1 Q9Y6A2 1/20 0.49
TACR1 P25103 1/20 0.48
STS P08842 1/20 0.48
GPR119 Q8TDV5 3/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
ACHE P22303 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL18038748 0.93 OPRD1 (0.47) OPRD1OPRK1CYP46A1TACR1STS
SCHEMBL4634595 0.88 KDM1A (0.46) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL14716117 0.86 TACR1 (0.56) OPRD1OPRK1TACR1STSGPR119
SCHEMBL4818025 0.86 STS (0.47) OPRD1OPRK1STSGPR119KDM4E
SCHEMBL22265595 0.86 GPR119 (0.51) OPRD1OPRK1CYP46A1TACR1GPR119
SCHEMBL31338779 0.86 GPR119 (0.51) OPRD1OPRK1CYP46A1TACR1GPR119
SCHEMBL12203692 0.84 OPRD1 (0.53) OPRD1OPRK1TACR1STSGPR119
SCHEMBL2951728 0.84 OPRD1 (0.53) OPRD1OPRK1CYP46A1TACR1STS
SCHEMBL5523771 0.83 JAK2 (0.48) OPRD1OPRK1TACR1STSGPR119
SCHEMBL4828154 0.83 MEN1 (0.56) OPRD1OPRK1CYP46A1SMN1; SMN2

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 11 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
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 US disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed
US-6048878-A Substituted piperidine derivatives as selective agonists of 5-HT receptors MERCK SHARP & DOHME LTD. (GB) 2000-04-11 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 (4 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 OPRD1 3788/4885OPRK1 4017/4885CYP46A1 1649/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 OPRD1 3946/4885OPRK1 4066/4885CYP46A1 1838/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 OPRD1 3788/4885OPRK1 4017/4885CYP46A1 1649/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR OPRD1 4152/4885OPRK1 4181/4885CYP46A1 2321/4885

“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.