SCHEMBL4134605

SCHEMBL4134605

CC(C)(C)OC(=O)CNCCCOCc1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.41
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
LTA4H P09960 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
P4HB P07237 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADRB2 P07550 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL4934744 0.87 MRGPRX4 (0.43) MRGPRX4ALDH1A1KDM4EMAPTCYP4F2
SCHEMBL4121828 0.78 HTR4 (0.36) MRGPRX4ALDH1A1CYP4F2CYP4A11L3MBTL1
SCHEMBL4134602 0.77 L3MBTL1 (0.45) MRGPRX4ALDH1A1CYP4F2CYP4A11L3MBTL1
SCHEMBL30473567 0.73 L3MBTL1 (0.48) ALDH1A1KDM4ELTA4HL3MBTL1CTSS
SCHEMBL4934741 0.73 MRGPRX4 (0.44) MRGPRX4ALDH1A1KDM4EMAPTCYP4F2
SCHEMBL15808955 0.72 MRGPRX4 (0.53) MRGPRX4ALDH1A1KDM4EMAPTCYP4F2
SCHEMBL15808806 0.71 MRGPRX4 (0.57) MRGPRX4ALDH1A1KDM4EMAPTCYP4F2
SCHEMBL734810 0.70 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1NPSR1
SCHEMBL1671124 0.69 TSHR (0.55) MRGPRX4L3MBTL1
SCHEMBL15808726 0.68 MRGPRX4 (0.45) MRGPRX4ALDH1A1KDM4EMAPTCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176853-A1 Adamantane derivatives ALCARAZ LILIAN 2009-07-09 US disclosed
US-20080139636-A1 Adamantane derivatives ASTRAZENECA AB. 2008-06-12 US disclosed
EP-1862451-A1 Adamantane derivatives for the treatment of inflammatory diseases AstraZeneca AB (SE) 2007-12-05 EP disclosed
US-7297818-B2 Adamantane derivatives ASTRAZENECA AB (SE) 2007-11-20 US disclosed
US-20070082957-A1 Adamantane derivatives ASTRAZENECA AB 2007-04-12 US disclosed
US-7132457-B2 Adamantane derivatives ASTRAZENECA AB (SE) 2006-11-07 US disclosed
US-6881754-B2 Adamantane derivatives ASTRAZENECA AB (SE) 2005-04-19 US disclosed
US-20050049303-A1 2-Chloro-5-[3-[(2-hydroxyethyl)amino]propyl]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide; preparation from chemical intermediates; use in treating rheumatoid arthritis, chronic obstructive pulmonary disease ASTRAZENECA AB 2005-03-03 US disclosed
EP-1242364-B1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1352897-A2 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases AstraZeneca AB (SE) 2003-10-15 EP disclosed
EP-1352895-A2 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases AstraZeneca AB (SE) 2003-10-15 EP disclosed
EP-1352896-A2 Adamantane derivatives for the treatment of inflammatory, immune and cardiovascular diseases AstraZeneca AB (SE) 2003-10-15 EP disclosed
US-20030013704-A1 Adamantane derivatives ASTRAZENECA AB (SE) 2003-01-16 US disclosed
EP-1242364-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001044170-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-21 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 (5 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-20070082957-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 MRGPRX4 2523/4885ALDH1A1 282/4885KDM4E 3105/4885
US-20030013704-A1 Adamantane derivatives ADRA2C, CHRNA2, ADRA1D MRGPRX4 2622/4885ALDH1A1 398/4885KDM4E 3739/4885
US-20090176853-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 MRGPRX4 2407/4885ALDH1A1 328/4885KDM4E 3146/4885
US-20050049303-A1 2-Chloro-5-[3-[(2-hydroxyethyl)amino]propyl]-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-benzamide; preparation from chemical intermediates; use in treating rheumatoid arthritis, chronic obstructive pulmonary disease HRH1, HRH2, HRH4 MRGPRX4 2308/4885ALDH1A1 126/4885KDM4E 1568/4885
US-20080139636-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 MRGPRX4 2407/4885ALDH1A1 328/4885KDM4E 3146/4885

“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.