SCHEMBL4134602

SCHEMBL4134602

CN(CCCOCc1ccc(Cl)c(C(=O)O)c1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
MRGPRX4 Q96LA9 4/20 0.42
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
METAP2 P50579 1/20 0.36
PDK2 Q15119 1/20 0.36
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
KAT6A Q92794 1/20 0.34
KAT5 Q92993 1/20 0.34
GAA P10253 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 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
SCHEMBL4934741 0.87 MRGPRX4 (0.44) L3MBTL1MRGPRX4CYP4F2CYP4A11ALDH1A1
SCHEMBL14969145 0.81 HTR2C (0.43) MRGPRX4CYP4F2CYP4A11HTR2CSLC6A4
SCHEMBL4121829 0.80 MRGPRX4 (0.37) MRGPRX4METAP2PDK2HTR2CSLC6A4
SCHEMBL4134605 0.77 MRGPRX4 (0.41) L3MBTL1MRGPRX4CYP4F2CYP4A11ALDH1A1
SCHEMBL31541772 0.76 L3MBTL1 (0.49) L3MBTL1MRGPRX4PDK2HTR2CSLC6A4
SCHEMBL15808955 0.73 MRGPRX4 (0.53) MRGPRX4CYP4F2CYP4A11ALDH1A1TP53
SCHEMBL31541789 0.73 L3MBTL1 (0.47) L3MBTL1PDK2HTR2CSLC6A4ALDH1A1
SCHEMBL4934744 0.72 MRGPRX4 (0.43) MRGPRX4CYP4F2CYP4A11ALDH1A1TP53
SCHEMBL16993182 0.72 L3MBTL1 (0.62) L3MBTL1PDK2HTR2CSLC6A4ALDH1A1
SCHEMBL21998139 0.72 L3MBTL1 (0.56) L3MBTL1HTR2CSLC6A4ALDH1A1

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-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
EP-1352897-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 L3MBTL1 4761/4885MRGPRX4 2523/4885CYP4F2 1063/4885
US-20030013704-A1 Adamantane derivatives ADRA2C, CHRNA2, ADRA1D L3MBTL1 4863/4885MRGPRX4 2622/4885CYP4F2 1067/4885
US-20090176853-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 L3MBTL1 4747/4885MRGPRX4 2407/4885CYP4F2 1352/4885
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 L3MBTL1 4450/4885MRGPRX4 2308/4885CYP4F2 2123/4885
US-20080139636-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 L3MBTL1 4747/4885MRGPRX4 2407/4885CYP4F2 1352/4885

“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.