SCHEMBL13246733

SCHEMBL13246733

CC1CCC(NC(=O)C(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.53
ALDH1A1 P00352 3/20 0.53
PKM P14618 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
ADRA2A P08913 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 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
Hydrochloric Acid SCHEMBL29904533 0.98 EPHX1 (0.52) EPHX1ALDH1A1PKMPDK1PDK2
SCHEMBL4087474 0.91 ALDH1A1 (0.60) EPHX1ALDH1A1PKMPDK1PDK2
SCHEMBL21100016 0.91 ALDH1A1 (0.60) EPHX1ALDH1A1PKMPDK1PDK2
SCHEMBL15906201 0.85 EPHX1 (0.52) EPHX1ALDH1A1PKMPDK1PDK2
SCHEMBL14654898 0.83 EPHX1 (0.50) EPHX1ALDH1A1PKMPDK1PDK2
SCHEMBL6420804 0.83 EPHX1 (0.50) EPHX1ALDH1A1PKMPDK1PDK2
SCHEMBL14654944 0.83 EPHX1 (0.50) EPHX1ALDH1A1PKMPDK1PDK2
SCHEMBL23573489 0.83 ALDH1A1 (0.53) EPHX1ALDH1A1PKMPDK1PDK2
SCHEMBL15317763 0.83 EPHX2 (0.58) EPHX1ALDH1A1PKMPDK1PDK2
SCHEMBL17690659 0.83 EPHX2 (0.58) EPHX1ALDH1A1PKMPDK1PDK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190856-A1 MELANOCORTIN-4 RECEPTOR AGONIST LG CHEM, LTD. (KR) 2024-06-13 US claimed
US-20240190856-A1 MELANOCORTIN-4 RECEPTOR AGONIST LG CHEM, LTD. (KR) 2024-06-13 US disclosed
WO-2024108198-A2 METHODS OF TREATING OBESITY WITH AN MC4R AGONIST RHYTHM PHARMACEUTICALS, INC. (US) 2024-05-23 WO disclosed
WO-2022182194-A1 MELANOCORTIN-4 RECEPTOR AGONIST 주식회사 엘지화학 2022-09-01 WO disclosed
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 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 (4 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-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 EPHX1 3837/4885ALDH1A1 4703/4885PKM 4765/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 EPHX1 3837/4885ALDH1A1 4703/4885PKM 4765/4885
US-20240190856-A1 MELANOCORTIN-4 RECEPTOR AGONIST MC4R, MC5R, MC3R EPHX1 1479/4885ALDH1A1 1216/4885PKM 2753/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 EPHX1 3837/4885ALDH1A1 4703/4885PKM 4765/4885

“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.