SCHEMBL75539

SCHEMBL75539

NCC1(N)Cc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.43
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HRH1 P35367 3/20 0.35
RET P07949 1/20 0.35
DPP4 P27487 1/20 0.35
HTR2C P28335 1/20 0.35
TYRO3 Q06418 1/20 0.33

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
SCHEMBL9583432 0.91 HTR2A (0.38) HTR2AMAOBMAOATAAR1HRH1
SCHEMBL8554610 0.85 SIGMAR1 (0.39) HTR2AMAOBMAOATAAR1RET
SCHEMBL8556517 0.85 SIGMAR1 (0.39) HTR2AMAOBMAOATAAR1RET
SCHEMBL8558686 0.81 CYP3A4 (0.40) HTR2A
SCHEMBL9583897 0.79 SIGMAR1 (0.39) HTR2AMAOBMAOATAAR1RET
SCHEMBL75787 0.78 KDM1A (0.39) HTR2AMAOBMAOADPP4
SCHEMBL865212 0.78 ADRA2A (0.41) HTR2AMAOBMAOA
SCHEMBL3238206 0.75 HTR2A (0.35) HTR2AMAOBMAOA
SCHEMBL3238183 0.75 MAOA (0.65) MAOBMAOA
SCHEMBL20130556 0.73 HTR2A (0.42) HTR2AMAOBMAOATAAR1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101553474-B Imidazolidinone and imidazolidinone derivatives as 11b-HSD1 inhibitors for diabetes HOFFMANN LA ROCHE 2013-02-27 CN disclosed
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
CN-101553474-A Imidazolidinone and imidazolidinone derivatives as 11 b-HSD 1 inhibitors for diabetes HOFFMANN LA ROCHE (CH) 2009-10-07 CN disclosed
US-20080103183-A1 NEW IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
US-5238955-A Anticarcinogenic agents ASTA PHARMA AG (DE) 1993-08-24 US disclosed
US-5194644-A Antitumor agents; treatment of leukemia ASTA PHARMA AG (DE) 1993-03-16 US disclosed
EP-0451753-A1 In the ethylenic moiety substituted phenylalkylethylenediamine-platinum (II or IV) derivatives and phenylalkyl-ethylenediamines ASTA Medica Aktiengesellschaft (DE) 1991-10-16 EP 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 HTR2A 3246/4885MAOB 2163/4885MAOA 3521/4885

“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.