SCHEMBL6803935

SCHEMBL6803935

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
MAOB P27338 4/20 0.52
CYP2D6 P10635 4/20 0.50
CYP1A2 P05177 3/20 0.50
SCN1A P35498 3/20 0.50
SCN2A Q99250 3/20 0.50
SCN3A Q9NY46 3/20 0.50
HRH3 Q9Y5N1 3/20 0.50
KCNH2 Q12809 2/20 0.50
MAOA P21397 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
TSHR P16473 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL11242982 0.91 MCHR1 (0.66) MCHR1KDM4EALDH1A1LMNAMAOB
SCHEMBL6803941 0.84 KDM4E (0.61) MCHR1KDM4EALDH1A1LMNAMAOB
SCHEMBL6807626 0.84 MCHR1 (0.57) MCHR1KDM4EALDH1A1LMNACYP2D6
Bromide SCHEMBL10426263 0.83 KDM4E (0.60) MCHR1KDM4EALDH1A1LMNAMAOB
SCHEMBL6811199 0.83 MAPK1 (0.68) MCHR1CYP2D6CYP1A2SCN1ASCN2A
SCHEMBL30969248 0.83 MAPK1 (0.68) MCHR1CYP2D6CYP1A2SCN1ASCN2A
SCHEMBL6811996 0.80 MCHR1 (0.60) MCHR1KDM4EALDH1A1LMNACYP2D6
SCHEMBL30969296 0.79 PRSS1 (0.56) KDM4EALDH1A1LMNACYP2D6CYP1A2
SCHEMBL10425884 0.77 ALDH1A1 (0.56) MCHR1KDM4EALDH1A1LMNAMAOB
Hypochlorous Acid SCHEMBL9144744 0.76 KDM4E (0.49) MCHR1KDM4EALDH1A1LMNAMAOB

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 MCHR1 133/4885KDM4E 2413/4885ALDH1A1 1692/4885

“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.