SCHEMBL4559306

SCHEMBL4559306

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2C P28335 1/20 0.41
TSHR P16473 1/20 0.40
GRIA1 P42261 1/20 0.39
AXL P30530 3/20 0.38
AR P10275 2/20 0.36
PIK3CA P42336 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
PARP1 P09874 1/20 0.34
HTT P42858 1/20 0.34
ESR2 Q92731 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALPL P05186 2/20 0.34

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
SCHEMBL4495976 1.00 HTR1A (0.41) HTR1AHTR1DHTR2CTSHRGRIA1
SCHEMBL4474599 0.89 HPGD (0.40) TSHRGRIA1ARALDH1A1POLB
SCHEMBL4473337 0.88 GRIA1 (0.39) TSHRGRIA1AXLARALDH1A1
SCHEMBL4489790 0.88 GRIA1 (0.39) TSHRGRIA1AXLARALDH1A1
SCHEMBL4704134 0.85 HPGD (0.50) HTR1ATSHRALDH1A1SMN1; SMN2
SCHEMBL4704557 0.85 ALDH1A1 (0.40) TSHRGRIA1ALDH1A1ATMSMN1; SMN2
SCHEMBL4491107 0.83 HPGD (0.50) TSHRALDH1A1SMN1; SMN2POLB
SCHEMBL4492290 0.82 CHRNB4 (0.42) GRIA1AXLARALDH1A1ATM
SCHEMBL4498044 0.80 ALPL (0.46) HTR2CGRIA1ARALPL
SCHEMBL4495801 0.80 CYP19A1 (0.45) GRIA1ARALPL

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 HTR1A 253/4885HTR1D 168/4885HTR2C 267/4885
US-20080139529-A1 BENZOXAPZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS GRIN1, GRIA4, CHRNA4 HTR1A 302/4885HTR1D 205/4885HTR2C 312/4885

“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.