SCHEMBL4489951

SCHEMBL4489951

N#Cc1ccc2c(c1)C(=O)N1CCC[C@@H]1CO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR2B P41595 1/20 0.44
GRIA1 P42261 1/20 0.40
ABCC9 O60706 2/20 0.39
ABCC8 Q09428 2/20 0.39
KCNJ11 Q14654 2/20 0.39
KCNJ8 Q15842 2/20 0.39
AR P10275 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 1/20 0.39
PDE4A P27815 4/20 0.38
HPGD P15428 1/20 0.36

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
SCHEMBL4484219 0.81 CYP19A1 (0.45) HTR2AHTR2CGRIA1ARALPL
SCHEMBL4485924 0.81 CYP19A1 (0.45) GRIA1ARALPL
SCHEMBL4492290 0.81 CHRNB4 (0.42) ALDH1A1MAPTGRIA1ARLMNA
SCHEMBL4495801 0.81 CYP19A1 (0.45) GRIA1ARALPL
SCHEMBL4489627 0.81 CYP19A1 (0.45) HTR2AHTR2CGRIA1ARALPL
SCHEMBL4498044 0.81 ALPL (0.46) HTR2AHTR2CHTR2BGRIA1AR
SCHEMBL5986573 0.81 CYP19A1 (0.45) HTR2AHTR2CHTR2BGRIA1AR
SCHEMBL4484222 0.78 KMT2A (0.46) HTR2AHTR2CKDM4EALDH1A1MAPT
SCHEMBL4474599 0.78 HPGD (0.40) ALDH1A1GRIA1ARHPGDGAA
SCHEMBL4474212 0.77 CYP19A1 (0.42) HTR2AHTR2CALDH1A1HTR2BGRIA1

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 HTR2A 345/4885HTR2C 267/4885KDM4E 2078/4885
US-20080139529-A1 BENZOXAPZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS GRIN1, GRIA4, CHRNA4 HTR2A 305/4885HTR2C 312/4885KDM4E 2578/4885

“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.