SCHEMBL4217908

SCHEMBL4217908

NNC(=O)CCc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.58
▸ ACHE P22303 1/20 0.58
▸ MAOB P27338 1/20 0.58
▸ CYP19A1 P11511 1/20 0.57
▸ CYP11B1 P15538 1/20 0.57
▸ CYP11B2 P19099 1/20 0.57

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
SCHEMBL4211629 0.91 CYP3A4 (0.61) CYP3A4ACHEMAOBCYP19A1CYP11B1
SCHEMBL4211858 0.90 CYP3A4 (0.60) CYP3A4ACHEMAOB
SCHEMBL4209907 0.89 CYP3A4 (0.61) CYP3A4ACHEMAOB
SCHEMBL4206741 0.89 NPC1 (0.59) MAOB
SCHEMBL4214791 0.89 MAOB (0.72) CYP3A4MAOB
SCHEMBL4218917 0.88 CYP3A4 (0.58) CYP3A4ACHEMAOB
SCHEMBL4223175 0.86 CYP3A4 (0.56) CYP3A4ACHEMAOB
SCHEMBL4209547 0.85 MAOB (0.66) CYP3A4ACHEMAOB
SCHEMBL4216061 0.83 CA12 (0.67) MAOB
SCHEMBL4210992 0.83 CYP19A1 (0.66) CYP3A4ACHEMAOBCYP19A1CYP11B1

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 6 patents. 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 claimed
EP-1863784-A1 SUBSTITUTED AMINOALKYL- AND AMIDOALKYL-BENZOPYRAN DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2007-12-12 — — EP claimed
WO-2006102958-A1 SUBSTITUTED AMINOALKYL- AND AMIDOALKYL-BENZOPYRAN DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2006-10-05 — — WO claimed
US-20090005436-A1 Substituted Aminoalkyl- and Amidoalkyl-Benzopyran Derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2009-01-01 — — US disclosed
EP-1863784-A1 SUBSTITUTED AMINOALKYL- AND AMIDOALKYL-BENZOPYRAN DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2007-12-12 — — EP disclosed
WO-2006102958-A1 SUBSTITUTED AMINOALKYL- AND AMIDOALKYL-BENZOPYRAN DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2006-10-05 — — WO 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 CYP3A4 222/4885ACHE 20/4885MAOB 1/4885

“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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