SCHEMBL9913291

SCHEMBL9913291

CC(=O)NC(C)(C)CN1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.41
HDAC4 P56524 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL13036136 0.98 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRHDAC4ATM
SCHEMBL13993899 0.81 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TSHRKDM4EMAPT
SCHEMBL8192925 0.81 NPSR1 (0.34) HDAC4NPSR1
SCHEMBL5745485 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ATMKDM4EHTT
SCHEMBL13030865 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRHDAC4ATM
SCHEMBL13115976 0.78 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2TSHRHDAC4ATM
SCHEMBL12932413 0.75 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2TSHRHDAC4ATM
SCHEMBL4508029 0.74 POLB (0.56) ALDH1A1SMN1; SMN2TSHRHDAC4ATM
SCHEMBL13136138 0.74 MAOA (0.32) NPSR1
SCHEMBL13993911 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EHTTNPC1

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-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 US disclosed
US-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 US disclosed
WO-2008057857-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 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 (1 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-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NR0B1, NFKB2 ALDH1A1 3868/4885SMN1; SMN2 4149/4885TSHR 496/4885

“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.