SCHEMBL14564152

SCHEMBL14564152

CN1CC(Cn2ccnn2)OC1=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 13/20 0.48
MAOB P27338 1/20 0.48
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.42

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
SCHEMBL16092996 1.00 MAOA (0.48) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL13921052 0.75 MAOA (0.50) MAOAKCNH2
SCHEMBL3325038 0.75 MAOA (0.60) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL18402991 0.75 CYP3A4 (0.41) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL5235825 0.75 MAOA (0.57) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL5239547 0.74 MAOA (0.56) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL5237207 0.74 MAOA (0.53) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL21217536 0.73 GAA (0.41)
SCHEMBL11983302 0.73 MAOA (0.73) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL21999224 0.73 MAOA (0.67) MAOAMAOBCYP3A4CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072811-A1 Bifunctional heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. 2007-03-29 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-20070072811-A1 Bifunctional heterocyclic compounds and methods of making and using the same PCNA, DCX, HPGDS MAOA 655/4885MAOB 794/4885CYP3A4 1537/4885

“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.