SCHEMBL1933742

SCHEMBL1933742

CC1(C)C2CC[C@]1(C)C(N)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
EPHX2 P34913 6/20 0.38
SIGMAR1 Q99720 3/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
GAA P10253 1/20 0.37
CXCR3 P49682 1/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL29159126 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL12610926 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL838670 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL12024467 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL6389608 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL1527311 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL14367329 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL18543456 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL542034 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B
SCHEMBL838671 1.00 ALDH1A1 (0.39) ALDH1A1EPHX2SIGMAR1GRIN2DGRIN3B

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP claimed
US-5440062-A One-(substituted)amino-7-(substituted)imino-1,3,5-cycloheptatriene-metal complexes as catalysts MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1995-08-08 US claimed
WO-1989010916-A1 ENANTIOSELECTIVE ADDITION OF HYDROCARBONS TO ALPHA,BETA-UNSATURATED CARBONYL COMPOUNDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1989-11-16 WO claimed
US-11555023-B2 Process for the differential solubility-driven asymmetric transformation of substituted 2H-chromene-3-carboxylic acids ASKAT INC. (JP) 2023-01-17 US disclosed
US-20220144792-A1 PROCESS FOR THE DIFFERENTIAL SOLUBILITY-DRIVEN ASYMMETRIC TRANSFORMATION OF SUBSTITUTED 2H-CHROMENE-3-CARBOXYLIC ACIDS ASKAT INC. (JP) 2022-05-12 US disclosed
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP disclosed
US-8314250-B2 Sultam derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-20 US disclosed
EP-2504324-A1 SULTAM DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-03 EP disclosed
WO-2011064141-A1 SULTAM DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-03 WO disclosed
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-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-5440062-A One-(substituted)amino-7-(substituted)imino-1,3,5-cycloheptatriene-metal complexes as catalysts MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1995-08-08 US disclosed
US-5162586-A Catalyst complex containing copper, a disubstituted aminetroponeimine chelating ligand and an organometallic reagent MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-11-10 US disclosed
WO-1989010916-A1 ENANTIOSELECTIVE ADDITION OF HYDROCARBONS TO ALPHA,BETA-UNSATURATED CARBONYL COMPOUNDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1989-11-16 WO 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 (6 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 ALDH1A1 2651/4885EPHX2 3254/4885SIGMAR1 3638/4885
US-11555023-B2 Process for the differential solubility-driven asymmetric transformation of substituted 2H-chromene-3-carboxylic acids UACA, SLC7A1, CDYL ALDH1A1 630/4885EPHX2 235/4885SIGMAR1 2292/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2460/4885EPHX2 3625/4885SIGMAR1 3665/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 ALDH1A1 2651/4885EPHX2 3254/4885SIGMAR1 3638/4885
US-20220144792-A1 PROCESS FOR THE DIFFERENTIAL SOLUBILITY-DRIVEN ASYMMETRIC TRANSFORMATION OF SUBSTITUTED 2H-CHROMENE-3-CARBOXYLIC ACIDS UACA, SLC7A1, CDYL ALDH1A1 630/4885EPHX2 235/4885SIGMAR1 2292/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR ALDH1A1 3404/4885EPHX2 3599/4885SIGMAR1 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.