SCHEMBL4211545

SCHEMBL4211545

NNC(=O)CC1CCOc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.50
MAOB P27338 3/20 0.50
MAOA P21397 2/20 0.50
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
GRM5 P41594 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTR1A P08908 1/20 0.48
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
CA2 P00918 1/20 0.46

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
SCHEMBL4208728 0.90 MAOB (0.54) FFAR1MAOBMAOAGRM5
SCHEMBL4217677 0.90 MAOB (0.48) FFAR1MAOBMAOAMEN1CYP1A2
SCHEMBL4206530 0.90 FFAR1 (0.52) FFAR1MAOBMAOAMEN1CYP1A2
SCHEMBL4208749 0.88 MAOB (0.53) FFAR1MAOBMAOANPC1ALDH1A1
SCHEMBL2883778 0.88 FFAR1 (0.62) FFAR1MAOBMAOANPC1ALDH1A1
SCHEMBL12214587 0.82 FFAR1 (0.54) FFAR1MAOBMAOANPC1ALDH1A1
SCHEMBL4211449 0.82 FFAR1 (0.49) FFAR1MAOBMAOAMEN1CYP1A2
SCHEMBL4219623 0.80 MAOB (0.56) FFAR1MAOBMAOANPC1ALDH1A1
SCHEMBL4208348 0.80 MAOB (0.54) FFAR1MAOBMAOAGRM5
SCHEMBL27704540 0.80 MAOB (0.51) FFAR1MAOBMAOANPC1ALDH1A1

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 8 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
CN-101137638-A Substituted aminoalkyl-and amidoalkyl-benzopyran derivatives NEWRON PHARM SPA (IT) 2008-03-05 CN 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
CN-101137638-A Substituted aminoalkyl-and amidoalkyl-benzopyran derivatives NEWRON PHARM SPA (IT) 2008-03-05 CN 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 FFAR1 552/4885MAOB 1/4885MAOA 2/4885

“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.