SCHEMBL4121828

SCHEMBL4121828

CC(C)(C)OC(=O)CNCCN(CCCc1ccc(Cl)c(C(=O)O)c1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.36
CA14 Q9ULX7 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
KAT8 Q9H7Z6 2/20 0.32
LIPG Q9Y5X9 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
P2RX7 Q99572 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4121829 0.83 MRGPRX4 (0.37) HTR4CA14MRGPRX4ALDH1A1KAT8
SCHEMBL4134605 0.78 MRGPRX4 (0.41) MRGPRX4ALDH1A1CYP4F2CYP4A11L3MBTL1
SCHEMBL14969145 0.70 HTR2C (0.43) MRGPRX4ALDH1A1CYP4F2CYP4A11
SCHEMBL15808726 0.70 MRGPRX4 (0.45) MRGPRX4ALDH1A1CYP4F2CYP4A11KAT8
SCHEMBL29927275 0.69 CA14 (0.42) CA14HDAC1HDAC2L3MBTL1
SCHEMBL4134602 0.68 L3MBTL1 (0.45) MRGPRX4ALDH1A1CYP4F2CYP4A11L3MBTL1
SCHEMBL7138314 0.67 POLB (0.54) SIGMAR1L3MBTL1
SCHEMBL1671124 0.67 TSHR (0.55) MRGPRX4HDAC1L3MBTL1
SCHEMBL27412143 0.66 ALDH1A1 (0.41) ALDH1A1ADRB3
SCHEMBL18147237 0.66 ALDH1A1 (0.44) ALDH1A1KAT8L3MBTL1

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 12 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-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

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-20030013704-A1 Adamantane derivatives ADRA2C, CHRNA2, ADRA1D HTR4 1088/4885CA14 1549/4885MRGPRX4 2622/4885
US-20090176853-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 HTR4 1652/4885CA14 1095/4885MRGPRX4 2407/4885
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 HTR4 621/4885CA14 2699/4885MRGPRX4 2308/4885
US-20080139636-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 HTR4 1652/4885CA14 1095/4885MRGPRX4 2407/4885

“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.