SCHEMBL4045668

SCHEMBL4045668

O=C1C2CCC1Cc1cc(OCc3ccccc3)ccc1C2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.52
MAOB P27338 7/20 0.52
HRH3 Q9Y5N1 6/20 0.52
CYP2D6 P10635 3/20 0.50
HRH1 P35367 1/20 0.50
FAAH O00519 5/20 0.48
KDM1A O60341 1/20 0.47

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
SCHEMBL14263757 1.00 MAOA (0.52) MAOAMAOBHRH3CYP2D6HRH1
SCHEMBL14019406 0.82 HRH3 (0.46) MAOAMAOBHRH3CYP2D6HRH1
SCHEMBL12471689 0.80 HRH3 (0.52) MAOAMAOBHRH3CYP2D6HRH1
SCHEMBL8728467 0.80 ITGB3 (0.60) MAOAMAOBHRH3CYP2D6HRH1
SCHEMBL12471199 0.79 HRH3 (0.51) MAOAMAOBHRH3CYP2D6HRH1
SCHEMBL6701989 0.78 KDM1A (0.53) MAOAMAOBHRH3CYP2D6HRH1
SCHEMBL12472170 0.76 HRH3 (0.57) HRH3CYP2D6HRH1FAAH
SCHEMBL17067890 0.76 HRH3 (0.56) MAOAMAOBHRH3CYP2D6HRH1
SCHEMBL13866864 0.75 HRH3 (0.43) MAOAMAOBHRH3CYP2D6HRH1
SCHEMBL4049731 0.75 HRH3 (0.43) MAOAMAOBHRH3CYP2D6HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503998-B1 HETEROARYL SUBSTITUTED SPIROCYCLIC SUFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME (GB) 2009-07-01 EP disclosed
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase COLLINS IAN J 2008-03-20 US disclosed
US-7282513-B2 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LIMITED (GB) 2007-10-16 US disclosed
US-7183303-B2 Gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2007-02-27 US disclosed
US-7138400-B2 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-11-21 US disclosed
US-20060173054-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-08-03 US disclosed
US-7041689-B2 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LTD. (GB) 2006-05-09 US disclosed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 EP disclosed
US-20050182109-A1 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME (UK) LIMITED (GB) 2005-08-18 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 (3 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-20050182109-A1 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 MAOA 1509/4885MAOB 2179/4885HRH3 699/4885
US-20060173054-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 MAOA 1695/4885MAOB 2136/4885HRH3 1706/4885
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 MAOA 1695/4885MAOB 2136/4885HRH3 1706/4885

“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.