SCHEMBL2606065

SCHEMBL2606065

CC1CCN(C(=O)NCCCO)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
KMT2A Q03164 3/20 0.41
TPSAB1 Q15661 4/20 0.40
TPSD1 Q9BZJ3 4/20 0.40
TPSG1 Q9NRR2 4/20 0.40
MEN1 O00255 1/20 0.40
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL2606067 0.89 ALDH1A1 (0.52) ALDH1A1NPC1HTTLMNATDP1
SCHEMBL18557408 0.87 ALDH1A1 (0.46) ALDH1A1NPC1HTTLMNATDP1
SCHEMBL19884756 0.85 ALDH1A1 (0.47) ALDH1A1NPC1HTTLMNATDP1
SCHEMBL2603261 0.82 HTT (0.45) HTTLMNATDP1KMT2ATPSAB1
SCHEMBL23417256 0.81 ALDH1A1 (0.50) ALDH1A1NPC1HTTLMNAPOLB
SCHEMBL19884750 0.81 ALDH1A1 (0.50) ALDH1A1NPC1HTTLMNAPOLB
SCHEMBL14032518 0.79 ALDH1A1 (0.49) ALDH1A1NPC1HTTLMNAPOLB
SCHEMBL13160340 0.79 ALDH1A1 (0.49) ALDH1A1NPC1LMNAPOLBKMT2A
SCHEMBL10275024 0.78 KMT2A (0.69) ALDH1A1NPC1HTTLMNAPOLB
SCHEMBL13015145 0.78 POLB (0.48) ALDH1A1NPC1HTTLMNATDP1

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-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
WO-2010146338-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) 2010-12-23 WO disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US disclosed
WO-2009074789-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE AS 11-BETA-HSD1 INHIBITORS THE UNIVERSITY OF EDINBURGH (GB) 2009-06-18 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 (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 ALDH1A1 361/4885NPC1 155/4885HTT 1695/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 ALDH1A1 285/4885NPC1 204/4885HTT 699/4885

“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.