SCHEMBL6808019

SCHEMBL6808019

CC(C)N(CCOc1ccc(N)c(Cl)c1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
ACHE P22303 2/20 0.47
ESR1 P03372 3/20 0.47
ESR2 Q92731 3/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
KDM4E B2RXH2 2/20 0.43
MCHR1 Q99705 4/20 0.43
KCNH2 Q12809 2/20 0.43
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL2688407 0.83 MAPT (0.54) LTA4HCHRNB2CHRNA4KDM4EKCNH2
SCHEMBL6922589 0.82 LTA4H (0.49) LTA4HADORA2AADORA1ACHEESR1
Hydrochloric Acid SCHEMBL15994626 0.81 MAPT (0.53) LTA4HCHRNB2CHRNA4KDM4EKCNH2
SCHEMBL3863505 0.80 KDM4E (0.63) LTA4HKDM4E
SCHEMBL6808017 0.79 ESR1 (0.48) LTA4HADORA2AADORA1ACHEESR1
SCHEMBL11711717 0.78 LTA4H (0.51) LTA4HADORA2AADORA1ACHEESR1
SCHEMBL3788905 0.77 KDM4E (0.50) LTA4HKDM4E
SCHEMBL469903 0.77 MAPT (0.51) LTA4HKDM4EALDH1A1
SCHEMBL6802602 0.77 LTA4H (0.61) LTA4HADORA2AADORA1ACHEESR1
SCHEMBL6807358 0.76 MAPT (0.46) LTA4HACHEESR1ESR2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063686-A1 Carboxamide compounds and their use as antagonists of a human 11cby receptor JOHNSON CHRISTOPHER NORBERT (GB) 2004-04-01 US disclosed
EP-1305304-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR SMITHKLINE BEECHAM PLC (GB) 2003-05-02 EP disclosed
WO-2002010146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-07 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 (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-20040063686-A1 Carboxamide compounds and their use as antagonists of a human 11cby receptor CNR1, GPR3, CCKAR LTA4H 1409/4885ADORA2A 86/4885ADORA1 40/4885

“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.