SCHEMBL4121829

SCHEMBL4121829

CN(CCN(CCCc1ccc(Cl)c(C(=O)O)c1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.37
HTR4 Q13639 4/20 0.37
KAT8 Q9H7Z6 2/20 0.35
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
METAP2 P50579 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CA14 Q9ULX7 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
CDK8 P49336 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
PDK2 Q15119 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 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
SCHEMBL4121828 0.83 HTR4 (0.36) MRGPRX4HTR4KAT8ALDH1A1CA14
SCHEMBL14969145 0.81 HTR2C (0.43) MRGPRX4HTR2CSLC6A4ALDH1A1TP53
SCHEMBL4134602 0.80 L3MBTL1 (0.45) MRGPRX4HTR2CSLC6A4METAP2ALDH1A1
SCHEMBL15808726 0.74 MRGPRX4 (0.45) MRGPRX4KAT8ALDH1A1TP53AKR1C2
SCHEMBL18147237 0.72 ALDH1A1 (0.44) KAT8ALDH1A1TP53LMNA
SCHEMBL3084246 0.72 CDK8 (0.42) HTR2CSLC6A4ALDH1A1TP53CDK8
SCHEMBL30005928 0.72 HDAC1 (0.35) HTR2CSLC6A4METAP2ALDH1A1PDK2
SCHEMBL3087044 0.71 CDK8 (0.41) HTR2CSLC6A4ALDH1A1TP53CDK8
SCHEMBL28775341 0.71 TACR1 (0.38) HTR2CSLC6A4METAP2CA14PDK2
SCHEMBL14969499 0.70 CYP4F2 (0.44) HTR2CSLC6A4ALDH1A1LMNA

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 MRGPRX4 2622/4885HTR4 1088/4885KAT8 3810/4885
US-20090176853-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 MRGPRX4 2407/4885HTR4 1652/4885KAT8 3972/4885
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 2308/4885HTR4 621/4885KAT8 1431/4885
US-20080139636-A1 Adamantane derivatives ADAM33, ADAM17, BACE1 MRGPRX4 2407/4885HTR4 1652/4885KAT8 3972/4885

“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.