SCHEMBL4491107

SCHEMBL4491107

O=C(c1ccc2c(c1)C(=O)N1CCC[C@H]1CO2)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.50
L3MBTL1 Q9Y468 2/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
ALDH1A1 P00352 3/20 0.43
PKM P14618 2/20 0.43
TSHR P16473 2/20 0.43
RECQL P46063 1/20 0.43
CYP1A2 P05177 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.42
CNR1 P21554 1/20 0.42
POLB P06746 1/20 0.41
DNMT1 P26358 1/20 0.41
PTPN7 P35236 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PHGDH O43175 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL4704134 0.91 HPGD (0.50) HPGDL3MBTL1L3MBTL3ALDH1A1TSHR
Hydrochloric Acid SCHEMBL4478207 0.85 SMN1; SMN2 (0.46) HPGDALDH1A1PKMTSHRSMN1; SMN2
SCHEMBL4474599 0.84 HPGD (0.40) HPGDALDH1A1TSHRKMT2APOLB
SCHEMBL4473337 0.83 GRIA1 (0.39) L3MBTL1L3MBTL3ALDH1A1TSHRSMN1; SMN2
SCHEMBL4559306 0.83 HTR1A (0.41) ALDH1A1TSHRSMN1; SMN2POLB
SCHEMBL4489790 0.83 GRIA1 (0.39) L3MBTL1L3MBTL3ALDH1A1TSHRSMN1; SMN2
SCHEMBL4495976 0.83 HTR1A (0.41) ALDH1A1TSHRSMN1; SMN2POLB
SCHEMBL4704557 0.80 ALDH1A1 (0.40) L3MBTL1L3MBTL3ALDH1A1TSHRSMN1; SMN2
SCHEMBL13149993 0.76 GRIA1 (0.53) HPGDL3MBTL1L3MBTL3ALDH1A1PKM
SCHEMBL5986573 0.75 CYP19A1 (0.45) CYP1A2KMT2A

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 5 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
EP-1399450-B1 BENZOXAZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS ORGANON NV (NL) 2008-03-19 EP 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 HPGD 1789/4885L3MBTL1 4115/4885L3MBTL3 4694/4885
US-20080139529-A1 BENZOXAPZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS GRIN1, GRIA4, CHRNA4 HPGD 2047/4885L3MBTL1 4071/4885L3MBTL3 4638/4885

“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.