SCHEMBL4491538

SCHEMBL4491538

O=C1c2c(F)cccc2OC[C@H]2CCCN12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
AR P10275 2/20 0.38
ABCB1 P08183 1/20 0.37
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
CYP19A1 P11511 1/20 0.35
PARP1 P09874 2/20 0.34
DGAT1 O75907 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
ESR2 Q92731 1/20 0.34
IL4I1 Q96RQ9 1/20 0.34
CNR1 P21554 1/20 0.34
MAPK1 P28482 2/20 0.33
PARP2 Q9UGN5 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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 1.00 HTR2C (0.39) HTR2CHTR2BARABCB1MEN1
SCHEMBL4485578 0.96 KMT2A (0.40) HTR2CHTR2BARABCB1MEN1
SCHEMBL10229055 0.84 HTR2B (0.45) HTR2CHTR2BARMEN1NPC1
SCHEMBL4486412 0.84 TMEM97 (0.44) HTR2CHTR2BARMEN1NPC1
SCHEMBL4479747 0.84 HTR2A (0.42) HTR2CHTR2BARMEN1NPC1
SCHEMBL12715110 0.84 HTR2B (0.45) HTR2CHTR2BARMEN1NPC1
SCHEMBL12714484 0.84 TMEM97 (0.44) HTR2CHTR2BARMEN1NPC1
SCHEMBL12715076 0.84 HTR2B (0.45) HTR2CHTR2BARMEN1NPC1
SCHEMBL12714452 0.84 TMEM97 (0.44) HTR2CHTR2BARMEN1NPC1
SCHEMBL4494522 0.83 AR (0.48) HTR2CHTR2BARMEN1NPC1

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

“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.