SCHEMBL4494522

SCHEMBL4494522

O=C1c2c(cccc2C(F)(F)F)OC[C@@H]2CCCN12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.48
HTR2C P28335 12/20 0.46
HTR2B P41595 12/20 0.46
HTR2A P28223 7/20 0.46
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PARP1 P09874 1/20 0.37
P2RX7 Q99572 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
DGAT1 O75907 1/20 0.35

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
SCHEMBL4485561 0.83 HTR2C (0.39) ARHTR2CHTR2BLMNAPARP1
SCHEMBL4491538 0.83 HTR2C (0.39) ARHTR2CHTR2BLMNAPARP1
SCHEMBL4410000 0.82 HTR2C (0.66) HTR2CHTR2BHTR2A
SCHEMBL31414453 0.82 AR (0.39) ARHTR2CHTR2BHTR2AMEN1
Hydrochloric Acid SCHEMBL4409102 0.81 HTR2C (0.65) HTR2CHTR2BHTR2A
SCHEMBL12715110 0.81 HTR2B (0.45) ARHTR2CHTR2BHTR2AALDH1A1
SCHEMBL4486412 0.81 TMEM97 (0.44) ARHTR2CHTR2BHTR2APARP1
SCHEMBL12714484 0.81 TMEM97 (0.44) ARHTR2CHTR2BHTR2APARP1
SCHEMBL10229055 0.81 HTR2B (0.45) ARHTR2CHTR2BHTR2AALDH1A1
SCHEMBL12715076 0.81 HTR2B (0.45) ARHTR2CHTR2BHTR2AALDH1A1

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 AR 914/4885HTR2C 267/4885HTR2B 314/4885
US-20080139529-A1 BENZOXAPZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS GRIN1, GRIA4, CHRNA4 AR 978/4885HTR2C 312/4885HTR2B 303/4885

“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.