SCHEMBL6803941

SCHEMBL6803941

CCN(CC)CCOc1ccc(N)cc1C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
CYP2D6 P10635 4/20 0.58
CYP1A2 P05177 3/20 0.58
SCN1A P35498 3/20 0.58
SCN2A Q99250 3/20 0.58
SCN3A Q9NY46 3/20 0.58
MCHR1 Q99705 3/20 0.56
MAOB P27338 5/20 0.54
HRH3 Q9Y5N1 4/20 0.52
MAOA P21397 3/20 0.52
KCNH2 Q12809 3/20 0.52
HTR3A P46098 2/20 0.52
CHRM2 P08172 1/20 0.52
CHRM3 P20309 1/20 0.52
HTR2C P28335 1/20 0.52
CHRNA4 P43681 1/20 0.52
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
Bromide SCHEMBL10426263 0.99 KDM4E (0.60) KDM4EALDH1A1LMNACYP2D6CYP1A2
SCHEMBL5102530 0.86 CYP2D6 (0.59) KDM4EALDH1A1LMNACYP2D6CYP1A2
SCHEMBL1734452 0.85 CYP2D6 (0.65) KDM4EALDH1A1LMNACYP2D6CYP1A2
SCHEMBL11242982 0.84 MCHR1 (0.66) KDM4EALDH1A1LMNACYP2D6CYP1A2
SCHEMBL6803935 0.84 MCHR1 (0.59) KDM4EALDH1A1LMNACYP2D6CYP1A2
SCHEMBL10589183 0.83 KDM4E (0.55) KDM4EALDH1A1LMNACYP2D6CYP1A2
SCHEMBL6807627 0.80 CYP2D6 (0.53) KDM4EALDH1A1LMNACYP2D6CYP1A2
SCHEMBL10426054 0.80 ABCB1 (0.52) KDM4EALDH1A1LMNACYP2D6CYP1A2
Hydrochloric Acid SCHEMBL11340459 0.79 CYP3A4 (0.59) KDM4EALDH1A1LMNACYP3A4TSHR
SCHEMBL11233185 0.79 KDM4E (0.65) KDM4EALDH1A1LMNACYP2D6CYP1A2

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 4 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
US-4906634-A Novel N-[4-(aminosubstituted)phenyl]methanesulfonamides and their use as cardiovascular agents SCHERING A.G. (DE) 1990-03-06 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 (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 KDM4E 2413/4885ALDH1A1 1692/4885LMNA 2527/4885

“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.