SCHEMBL4206449

SCHEMBL4206449

CNCc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.77
▸ MAOA P21397 1/20 0.77
▸ CYP3A4 P08684 2/20 0.72
▸ CYP1A2 P05177 1/20 0.72
▸ CYP2E1 P05181 1/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ CYP2C9 P11712 1/20 0.72
▸ CYP2C19 P33261 1/20 0.72
▸ ACHE P22303 2/20 0.64

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
SCHEMBL4209619 0.95 CYP3A4 (0.81) MAOBMAOACYP3A4CYP1A2CYP2E1
SCHEMBL4217923 0.90 MAOA (0.63) MAOBMAOA
SCHEMBL4208266 0.90 MAOB (0.63) MAOBMAOACYP3A4ACHE
SCHEMBL4211340 0.89 MAOB (0.62) MAOBMAOACYP3A4ACHE
SCHEMBL4211604 0.88 MAOB (0.62) MAOBMAOACYP3A4ACHE
SCHEMBL4208371 0.87 MAOA (1.00) MAOBMAOACYP3A4CYP1A2CYP2E1
SCHEMBL4208125 0.86 MAOB (0.77) MAOBCYP3A4ACHE
SCHEMBL4210992 0.86 CYP19A1 (0.66) MAOBCYP3A4ACHE
SCHEMBL4213219 0.86 CYP19A1 (0.66) MAOBCYP3A4ACHE
SCHEMBL4211629 0.84 CYP3A4 (0.61) MAOBCYP3A4ACHE

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 MAOB 1/4885MAOA 2/4885CYP3A4 222/4885

“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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