SCHEMBL4474212

SCHEMBL4474212

O=C1c2ccccc2OC[C@@H]2CCCN12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AR P10275 2/20 0.41
GRIA1 P42261 1/20 0.40
MAOB P27338 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
HTR1A P08908 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNB2 P17787 1/20 0.38

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
SCHEMBL30645613 1.00 CYP19A1 (0.42) CYP19A1MEN1NPC1RAB9AKMT2A
SCHEMBL4485020 1.00 CYP19A1 (0.42) CYP19A1MEN1NPC1RAB9AKMT2A
SCHEMBL13918165 0.91 CYP19A1 (0.44) CYP19A1MAOBSIGMAR1HTR1APKM
SCHEMBL4483125 0.81 ALPL (0.47) CYP19A1ARGRIA1MAOBHTR2A
SCHEMBL4477728 0.81 AR (0.44) CYP19A1ARGRIA1MAOB
SCHEMBL4489426 0.81 ALPL (0.47) CYP19A1ARGRIA1MAOBHTR2A
SCHEMBL13918164 0.81 CYP19A1 (0.41) CYP19A1MAOBSIGMAR1PKMTSHR
SCHEMBL4498044 0.80 ALPL (0.46) CYP19A1ARGRIA1MAOBHTR2A
SCHEMBL4489627 0.80 CYP19A1 (0.45) CYP19A1MEN1KMT2AARGRIA1
SCHEMBL4492290 0.80 CHRNB4 (0.42) MEN1NPC1RAB9AKMT2AATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504390-B2 Benzoxazepine derivatives and their use as AMPA receptor stimulators N.V. ORGANON (NL) 2009-03-17 US disclosed
US-20080139529-A1 BENZOXAPZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS N.V. ORGANON (NL) 2008-06-12 US disclosed
US-7307073-B2 Benzoxazepines derivatives and their use as AMPA receptor stimulators N.V. ORGANON (NL) 2007-12-11 US disclosed
US-20040171605-A1 Benzoxazepines derivatives and their use as ampa receptor stimulators MERCK SHARP & DOHME B.V. (NL) 2004-09-02 US 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-20040171605-A1 Benzoxazepines derivatives and their use as ampa receptor stimulators CHRNA4, CHRNA10, CHRNA9 CYP19A1 1855/4885MEN1 4866/4885NPC1 2380/4885
US-20080139529-A1 BENZOXAPZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS GRIN1, GRIA4, CHRNA4 CYP19A1 795/4885MEN1 4584/4885NPC1 2019/4885

“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.