SCHEMBL2603241

SCHEMBL2603241

CC(C)C1CCN(C(=O)CCc2ccncc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.49
GFER P55789 2/20 0.47
FKBP1A P62942 1/20 0.47
GRIN2B Q13224 1/20 0.46
C3AR1 Q16581 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 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
SCHEMBL2603249 0.86 POLB (0.68) POLBALDH1A1KMT2AMEN1GFER
SCHEMBL13504080 0.84 FKBP1A (0.53) POLBALDH1A1KMT2AMEN1LMNA
SCHEMBL5441190 0.79 NPC1 (0.70) POLBGFERNPC1TDP1GAA
SCHEMBL13621179 0.79 ALDH1A1 (0.54) POLBALDH1A1KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL4745813 0.78 NPC1 (0.68) POLBGFERNPC1TDP1GAA
SCHEMBL2603256 0.78 ALDH1A1 (0.51) POLBALDH1A1GRIN2BC3AR1KDM4E
SCHEMBL19106730 0.77 RECQL (0.54) POLBALDH1A1KMT2ALMNAKDM4E
SCHEMBL24943108 0.76 FKBP1A (0.48) ALDH1A1KMT2AMEN1LMNAGFER
SCHEMBL30461898 0.76 FKBP1A (0.72) ALDH1A1KMT2AMEN1LMNAFKBP1A
SCHEMBL2603250 0.75 CYP2D6 (0.50) HRH3

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-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
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-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 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 (2 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-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 3406/4885ALDH1A1 361/4885KMT2A 2032/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 POLB 3451/4885ALDH1A1 285/4885KMT2A 2185/4885

“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.