SCHEMBL6811199

SCHEMBL6811199

CCN(CC)CCOc1ccc(C(N)=O)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.68
MCHR1 Q99705 4/20 0.57
ACHE P22303 3/20 0.53
PRSS1 P07477 4/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
SCN1A P35498 2/20 0.51
KCNH2 Q12809 2/20 0.51
SCN2A Q99250 2/20 0.51
SCN3A Q9NY46 2/20 0.51
HRH3 Q9Y5N1 2/20 0.51
CYP3A4 P08684 1/20 0.51
MAOA P21397 1/20 0.51
CYP2C19 P33261 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
BCHE P06276 1/20 0.51
TSHR P16473 2/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
SLC6A2 P23975 1/20 0.50

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
SCHEMBL30969248 1.00 MAPK1 (0.68) MAPK1MCHR1ACHEPRSS1CYP1A2
SCHEMBL6807626 0.85 MCHR1 (0.57) MAPK1MCHR1CYP1A2CYP2D6SCN1A
SCHEMBL6811996 0.83 MCHR1 (0.60) MAPK1MCHR1CYP1A2CYP2D6SCN1A
SCHEMBL5132218 0.83 MAPK1 (0.62) MAPK1MCHR1PRSS1
SCHEMBL6803935 0.83 MCHR1 (0.59) MAPK1MCHR1CYP1A2CYP2D6SCN1A
SCHEMBL8068426 0.82 MAPK1 (0.68) MAPK1PRSS1CYP1A2CYP3A4CYP2C19
SCHEMBL1545264 0.82 MAPK1 (0.68) MAPK1PRSS1CYP1A2CYP3A4CYP2C19
SCHEMBL12970778 0.81 MAPK1 (0.72) MAPK1PRSS1CYP1A2CYP3A4CYP2C19
SCHEMBL6941556 0.81 MAPK1 (0.72) MAPK1PRSS1CYP1A2CYP3A4CYP2C19
SCHEMBL9502719 0.81 MAPK1 (0.72) MAPK1PRSS1CYP1A2CYP3A4CYP2C19

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 MAPK1 1964/4885MCHR1 133/4885ACHE 1228/4885

“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.