SCHEMBL4213523

SCHEMBL4213523

CN(C)C(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.68
▸ MAOA P21397 3/20 0.68
▸ BCHE P06276 2/20 0.68
▸ ACHE P22303 2/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ NPC1 O15118 1/20 0.63
▸ CASP3 P42574 1/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ SENP8 Q96LD8 1/20 0.63
▸ SENP7 Q9BQF6 1/20 0.63
▸ SENP6 Q9GZR1 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63

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
SCHEMBL4213688 0.89 MAOB (0.68) MAOBACHECYP3A4
SCHEMBL4213269 0.89 MAOB (0.69) MAOBMAOA
SCHEMBL16552382 0.84 MAOB (0.73) MAOBMAOABCHEACHECYP3A4
SCHEMBL4209954 0.83 BCHE (0.56) MAOBMAOABCHEACHECYP3A4
Hydrochloric Acid SCHEMBL17923763 0.83 MAOB (0.73) MAOBMAOABCHEACHECYP3A4
SCHEMBL4211668 0.83 — —
SCHEMBL17931588 0.82 MAOB (0.74) MAOBMAOABCHEACHECYP3A4
SCHEMBL4211377 0.81 MAOB (0.68) MAOBMAOABCHEACHECYP3A4
SCHEMBL4203723 0.80 CA12 (0.71) MAOBMAOANPC1CASP3RAB9A
SCHEMBL4219789 0.79 MAOB (0.72) MAOBMAOA

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 3 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 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 2/4885BCHE 98/4885

“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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