SCHEMBL4210087

SCHEMBL4210087

NC(=O)CC1=CCOc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.55
MAOA P21397 6/20 0.55
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
NFKB1 P19838 1/20 0.53
GRM5 P41594 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TOP1 P11387 1/20 0.45
ALOX5 P09917 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
PARP10 Q53GL7 1/20 0.44
FFAR1 O14842 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42

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
SCHEMBL12214584 0.91 MAOB (0.57) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL4206464 0.89 MAOB (0.53) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL4211558 0.88 MAOB (0.57) MAOBMAOAGRM5PARP10
SCHEMBL4224787 0.88 MAOB (0.52) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL4206758 0.86 MAOB (0.52) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL4213237 0.86 MAOB (0.52) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL4215975 0.82 MAOB (0.55) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL4217857 0.82 MAOB (0.46) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL4206480 0.82 MAOB (0.50) MAOBMAOANPC1ALDH1A1HPGD
SCHEMBL4211572 0.80 MAOB (0.50) MAOBMAOANPC1ALDH1A1HPGD

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 9 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-20090048239-A1 Therapeutic compounds MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
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 (2 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-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ MAOB 331/4885MAOA 1049/4885NPC1 351/4885
US-20090005436-A1 Substituted Aminoalkyl- and Amidoalkyl-Benzopyran Derivatives MAOB, MAOA, AOC3 MAOB 1/4885MAOA 2/4885NPC1 1896/4885

“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.