SCHEMBL2603261

SCHEMBL2603261

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CYP2C19 P33261 1/20 0.39
HCRTR2 O43614 1/20 0.38
TPSAB1 Q15661 3/20 0.38
TPSD1 Q9BZJ3 3/20 0.38
TPSG1 Q9NRR2 3/20 0.38
NAMPT P43490 1/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.37
KCNH2 Q12809 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
SCHEMBL2603264 0.90 HCRTR2 (0.45) HTTTDP1KMT2AMEN1CYP2C19
SCHEMBL2606065 0.82 ALDH1A1 (0.49) HTTTDP1KMT2AMEN1TPSAB1
SCHEMBL13107150 0.82 KMT2A (0.64) HTTKMT2AMEN1CNR1CNR2
SCHEMBL2603259 0.81 KMT2A (0.42) HTTTDP1KMT2ACYP2C19LMNA
SCHEMBL2603258 0.80 HCRTR2 (0.48) HTTTDP1KMT2AMEN1CYP2C19
SCHEMBL24474332 0.79 KMT2A (0.46) HTTKMT2ACYP2C19HCRTR2LMNA
SCHEMBL2603262 0.78 TDP1 (0.43) HTTTDP1KMT2ACYP2C19HCRTR2
SCHEMBL20034735 0.77 PTGS1 (0.40) HTTKMT2AMEN1CNR1CNR2
SCHEMBL26228168 0.76 KMT2A (0.43) HTTKMT2AMEN1CYP2C19HCRTR2
SCHEMBL8251062 0.75 RAB9A (0.52) HTTKMT2AMEN1CYP2C19TPSAB1

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 4 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

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 HTT 1695/4885TDP1 1457/4885KMT2A 2032/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 HTT 699/4885TDP1 643/4885KMT2A 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.