SCHEMBL13609239

SCHEMBL13609239

CC(=O)C(N)Cc1cnc[nH]1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.73
SLC7A5 Q01650 1/20 0.73
HRH4 Q9H3N8 3/20 0.61
HRH3 Q9Y5N1 3/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
GLA P06280 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP1A2 P05177 1/20 0.61
NFKB1 P19838 1/20 0.61
THPO P40225 1/20 0.61
LMNA P02545 1/20 0.59
APEX1 P27695 1/20 0.59
BLM P54132 1/20 0.59

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
SCHEMBL18162806 1.00 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL7962292 1.00 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL27738090 0.87 CYP3A4 (0.90) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL28093400 0.85 CYP3A4 (0.93) CYP3A4SLC7A5HRH4HRH3ALDH1A1
D-Histidine SCHEMBL288043 0.84 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL19974306 0.84 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL388560 0.84 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL3260 0.84 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5497653 0.84 CYP3A4 (0.75) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5717709 0.84 CYP3A4 (0.75) CYP3A4SLC7A5HRH4HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023123479-A1 HEXAPEPTIDE, COSMETIC COMPOSITION OR PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF HEXAPEPTIDE 深圳市维琪科技股份有限公司 2023-07-06 WO disclosed
EP-3170812-A1 IMIDAZOLE COMPOUND AND LIPOSOME CONTAINING SAME Fujifilm Corporation (JP) 2017-05-24 EP disclosed
WO-2016046409-A1 NOVEL PEPTIDE DERIVATIVES AND USES THEREOF NOSOPHARM (FR) 2016-03-31 WO disclosed
EP-1613420-B1 METHOD FOR SELECTIVELY BINDING A SUBSTRATE TO SORBENTS BY WAY OF AT LEAST BIVALENT BONDS INSTRACTION GMBH (DE) 2015-05-13 EP disclosed
US-7612103-B2 Such as 14-O-[4-hydroxy-N-valyl-piperidin-3-yl]-sulfanylacetylmutilin NABRIVA THERAPEUTICS AG (AT) 2009-11-03 US disclosed
US-7612103-B2 Such as 14-O-[4-hydroxy-N-valyl-piperidin-3-yl]-sulfanylacetylmutilin NABRIVA THERAPEUTICS AG (AT) 2009-11-03 US disclosed
US-7521466-B2 Dipeptide phenyl ethers BEXEL PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521466-B2 Dipeptide phenyl ethers BEXEL PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
EP-1534678-B1 PLEUROMUTILIN DERIVATIVES AS ANTIMICROBBIALS NABRIVA THERAPEUTICS FORSCHUNG (AT) 2007-10-31 EP disclosed
US-20070037863-A1 such as 5-[4-(4-(2-(2-amino-3-imidazol-4-yl propanamido)-2-methoxy carobonylethyl)phenoxy)benzylidene]thiazolidin-2,4-dione, used for lowering blood glucose, serum insulin, free fatty acids, cholesterol and triglyceride levels; prophylaxis of diabetes, obesity, inflammation and autoimmune diseases NAG BISHWAJIT 2007-02-15 US disclosed
US-20070037863-A1 such as 5-[4-(4-(2-(2-amino-3-imidazol-4-yl propanamido)-2-methoxy carobonylethyl)phenoxy)benzylidene]thiazolidin-2,4-dione, used for lowering blood glucose, serum insulin, free fatty acids, cholesterol and triglyceride levels; prophylaxis of diabetes, obesity, inflammation and autoimmune diseases NAG BISHWAJIT 2007-02-15 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 (1 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-20070037863-A1 such as 5-[4-(4-(2-(2-amino-3-imidazol-4-yl propanamido)-2-methoxy carobonylethyl)phenoxy)benzylidene]thiazolidin-2,4-dione, used for lowering blood glucose, serum insulin, free fatty acids, cholesterol and triglyceride levels; prophylaxis of diabetes, obesity, inflammation and autoimmune diseases FFAR4, IAPP, FFAR2 CYP3A4 2436/4885SLC7A5 1953/4885HRH4 1777/4885

“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.