SCHEMBL4209954

SCHEMBL4209954

CC(C)(C)OC(=O)N(N)C(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.56
▸ MAOA P21397 2/20 0.56
▸ ACHE P22303 2/20 0.56
▸ MAOB P27338 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56

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
SCHEMBL4213523 0.83 MAOB (0.68) BCHEMAOAACHEMAOBCYP3A4
SCHEMBL4206436 0.83 KDM4E (0.58) MAOBCYP3A4
SCHEMBL4209959 0.81 MAOA (0.55) BCHEMAOAACHEMAOBCYP3A4
SCHEMBL4211668 0.80 — —
SCHEMBL16552382 0.75 MAOB (0.73) BCHEMAOAACHEMAOBCYP3A4
SCHEMBL27725173 0.74 MAOB (0.63) BCHEMAOAACHEMAOBCYP3A4
Hydrochloric Acid SCHEMBL17923763 0.74 MAOB (0.73) BCHEMAOAACHEMAOBCYP3A4
SCHEMBL4211377 0.74 MAOB (0.68) BCHEMAOAACHEMAOBCYP3A4
SCHEMBL4213688 0.74 MAOB (0.68) ACHEMAOBCYP3A4
SCHEMBL4213269 0.74 MAOB (0.69) MAOAMAOB

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-20090005436-A1 Substituted Aminoalkyl- and Amidoalkyl-Benzopyran Derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2009-01-01 — — 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-20090005436-A1 Substituted Aminoalkyl- and Amidoalkyl-Benzopyran Derivatives MAOB, MAOA, AOC3 BCHE 98/4885MAOA 2/4885ACHE 20/4885

“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.

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