SCHEMBL2603249

SCHEMBL2603249

CC(C)C1CCN(C(=O)CCc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.68
NPC1 O15118 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.60
FKBP1A P62942 1/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GRIN2B Q13224 1/20 0.54
NAAA Q02083 1/20 0.54
TSHR P16473 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ME2 P23368 1/20 0.52
ME1 P48163 1/20 0.52
ME3 Q16798 1/20 0.52
KMT2A Q03164 3/20 0.52
GFER P55789 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
CHRM3 P20309 1/20 0.51

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
SCHEMBL2603241 0.86 POLB (0.50) POLBNPC1TDP1L3MBTL1FKBP1A
SCHEMBL13504080 0.86 FKBP1A (0.53) POLBNPC1FKBP1AHPGDSMN1; SMN2
SCHEMBL22875382 0.85 L3MBTL1 (0.66) POLBL3MBTL1HPGDSMN1; SMN2TSHR
SCHEMBL16591625 0.84 POLB (0.69) POLBNPC1TDP1L3MBTL1FKBP1A
SCHEMBL14028152 0.84 POLB (0.73) POLBNPC1TDP1L3MBTL1FKBP1A
SCHEMBL6289171 0.83 POLB (0.77) POLBNPC1TDP1L3MBTL1FKBP1A
SCHEMBL4704100 0.82 POLB (0.75) POLBNPC1TDP1L3MBTL1FKBP1A
SCHEMBL13503663 0.81 POLB (0.48) POLBALDH1A1KMT2AMAPT
SCHEMBL7131839 0.81 NPC1 (0.86) POLBNPC1TDP1L3MBTL1FKBP1A
SCHEMBL22875110 0.81 NPC1 (0.47) POLBNPC1L3MBTL1HPGDSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 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-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 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-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS BAX, BCL2, BAD POLB 438/4885NPC1 1851/4885TDP1 1240/4885
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 POLB 3406/4885NPC1 155/4885TDP1 1457/4885
US-20100035879-A1 N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BAD POLB 151/4885NPC1 2295/4885TDP1 545/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 POLB 3451/4885NPC1 204/4885TDP1 643/4885

“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.