SCHEMBL2603264

SCHEMBL2603264

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.45
KMT2A Q03164 4/20 0.44
CYP2C19 P33261 2/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.38
CYP2C9 P11712 1/20 0.38
CHRM1 P11229 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2603261 0.90 HTT (0.45) HCRTR2KMT2ACYP2C19HTTLMNA
SCHEMBL13107150 0.84 KMT2A (0.64) HCRTR2KMT2ACYP2C19HTTLMNA
SCHEMBL2603259 0.84 KMT2A (0.42) KMT2ACYP2C19HTTLMNATDP1
SCHEMBL2603258 0.83 HCRTR2 (0.48) HCRTR2KMT2ACYP2C19HTTTDP1
SCHEMBL24474332 0.81 KMT2A (0.46) HCRTR2KMT2ACYP2C19HTTLMNA
SCHEMBL2606067 0.81 ALDH1A1 (0.52) KMT2ACYP2C19HTTLMNATDP1
SCHEMBL2603262 0.80 TDP1 (0.43) HCRTR2KMT2ACYP2C19HTTTDP1
SCHEMBL26228168 0.79 KMT2A (0.43) HCRTR2KMT2ACYP2C19HTTLMNA
SCHEMBL8251062 0.77 RAB9A (0.52) KMT2ACYP2C19HTTMEN1ALDH1A1
SCHEMBL2603260 0.77 POLB (0.58) HCRTR2KMT2ALMNAMEN1ALDH1A1

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 3 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

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 HCRTR2 595/4885KMT2A 2032/4885CYP2C19 318/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 HCRTR2 894/4885KMT2A 2185/4885CYP2C19 207/4885

“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.