SCHEMBL2603259

SCHEMBL2603259

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.39
HTT P42858 3/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
DNM1 Q05193 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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 0.84 HCRTR2 (0.45) KMT2AALDH1A1CYP2C19HTTLMNA
SCHEMBL26494240 0.83 ALDH1A1 (0.37) ALDH1A1CYP2C19HTT
SCHEMBL13160340 0.82 ALDH1A1 (0.49) KMT2AALDH1A1CYP2C19LMNAL3MBTL1
SCHEMBL13107150 0.82 KMT2A (0.64) KMT2ACYP2C19HTTLMNA
SCHEMBL2603261 0.81 HTT (0.45) KMT2ACYP2C19HTTLMNATDP1
SCHEMBL2603258 0.80 HCRTR2 (0.48) KMT2AKDM4EALDH1A1CYP2C19HTT
SCHEMBL30753853 0.80 KMT2A (0.45) KMT2APKMHTTLMNADNM1
SCHEMBL25074977 0.79 POLB (0.38) ALDH1A1HTTL3MBTL1
SCHEMBL24474332 0.79 KMT2A (0.46) KMT2AHSD17B10KDM4ECYP2C19HTT
SCHEMBL27748816 0.78 EPHX2 (0.44) KMT2AALDH1A1PKMHTTLMNA

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-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-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 KMT2A 2032/4885HSD17B10 18/4885KDM4E 3805/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 KMT2A 2185/4885HSD17B10 12/4885KDM4E 2261/4885

“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.