Sugi Predict

Sugi Predict / Compounds / SCHEMBL4484222

SCHEMBL4484222

SCHEMBL4484222

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ GAA P10253 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ AR P10275 2/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GRIA1 P42261 1/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ TERT O14746 1/20 0.37
▸ ALPL P05186 2/20 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
SCHEMBL4704066 0.91 AR (0.49) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL4481975 0.91 AR (0.49) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL21780397 0.91 AR (0.43) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL14480619 0.91 AR (0.43) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL14481095 0.91 AR (0.43) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL4701384 0.88 AR (0.50) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL4495801 0.83 CYP19A1 (0.45) ARGRIA1ALPLCYP19A1
SCHEMBL4485924 0.83 CYP19A1 (0.45) ARGRIA1ALPLCYP19A1
SCHEMBL13595220 0.82 HTR2C (0.66) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL4408432 0.81 HTR2C (0.65) HTR2AHTR2CHTR2B

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 KMT2A 2555/4885MEN1 4866/4885GAA 3591/4885
US-20080139529-A1 BENZOXAPZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS GRIN1, GRIA4, CHRNA4 KMT2A 2258/4885MEN1 4584/4885GAA 4367/4885

“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.