SCHEMBL75789

SCHEMBL75789

NCC1(N)CCCN(Cc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.55
CYP3A4 P08684 6/20 0.48
TSHR P16473 5/20 0.48
SIGMAR1 Q99720 3/20 0.47
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL5570751 0.90 CYP3A4 (0.51) CYP2D6CYP3A4TSHRSIGMAR1ALDH1A1
SCHEMBL24536233 0.88 CYP2D6 (0.52) CYP2D6CYP3A4TSHRSIGMAR1ALDH1A1
SCHEMBL24536218 0.82 CYP2D6 (0.50) CYP2D6CYP3A4TSHRSIGMAR1ALDH1A1
SCHEMBL1586461 0.80 CYP3A4 (0.59) CYP2D6CYP3A4TSHRSIGMAR1ALDH1A1
SCHEMBL3493144 0.80 CYP2D6 (0.54) CYP2D6CYP3A4TSHRSIGMAR1ALDH1A1
SCHEMBL7500958 0.79 CYP2D6 (0.56) CYP2D6CYP3A4TSHRSIGMAR1ALDH1A1
SCHEMBL23285195 0.79 CYP2D6 (0.48) CYP2D6CYP3A4TSHRSIGMAR1ALDH1A1
SCHEMBL9749110 0.78 MAOA (0.56) CYP2D6CYP3A4TSHRSIGMAR1ALDH1A1
SCHEMBL13201417 0.76 CYP3A4 (0.50) CYP2D6CYP3A4TSHRSIGMAR1ALDH1A1
SCHEMBL13201457 0.76 CYP3A4 (0.50) CYP2D6CYP3A4TSHRSIGMAR1ALDH1A1

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-8129423-B2 1-Adamantan-2-yl-3-benzyl-1,3-dihydro-imidazol-2-one; 11beta-hydroxysteroid dehydrogenases (11beta-HSD) inhibitor; antidiabetic, hypotensive, hypoglycemic agent; resist hyperglycemia provoked by obesity or stress; HOFFMAN-LA ROCHE INC. (US) 2012-03-06 US disclosed
EP-2308851-A1 Imidazolone and imidazolidinone derivatives as 11B-HSD1 inhibitors for the treatment of diabetes F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 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-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HSD11B1, HSD17B1, HSD17B11 CYP2D6 124/4885CYP3A4 63/4885TSHR 2079/4885

“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.