SCHEMBL4498044

SCHEMBL4498044

O=C1c2cc(Cl)ccc2OC[C@@H]2CCCN12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.46
CYP19A1 P11511 1/20 0.45
MAOB P27338 2/20 0.44
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
GRIA1 P42261 1/20 0.42
AR P10275 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 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
SCHEMBL4483125 0.90 ALPL (0.47) ALPLCYP19A1MAOBHTR2AHTR2C
SCHEMBL4489426 0.90 ALPL (0.47) ALPLCYP19A1MAOBHTR2AHTR2C
SCHEMBL4484219 0.84 CYP19A1 (0.45) ALPLCYP19A1HTR2AHTR2CGRIA1
SCHEMBL4495801 0.84 CYP19A1 (0.45) ALPLCYP19A1GRIA1AR
SCHEMBL4485924 0.84 CYP19A1 (0.45) ALPLCYP19A1GRIA1AR
SCHEMBL5986573 0.84 CYP19A1 (0.45) ALPLCYP19A1HTR2AHTR2CHTR2B
SCHEMBL4492290 0.84 CHRNB4 (0.42) ALPLGRIA1AR
SCHEMBL4489627 0.84 CYP19A1 (0.45) ALPLCYP19A1HTR2AHTR2CGRIA1
SCHEMBL4473337 0.82 GRIA1 (0.39) ALPLGRIA1AR
SCHEMBL4489790 0.82 GRIA1 (0.39) ALPLGRIA1AR

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 ALPL 4303/4885CYP19A1 1855/4885MAOB 1149/4885
US-20080139529-A1 BENZOXAPZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS GRIN1, GRIA4, CHRNA4 ALPL 4457/4885CYP19A1 795/4885MAOB 923/4885

“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.