SCHEMBL909338

SCHEMBL909338

NN1CCCC(c2cc(F)cc(F)c2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PER2 O15055 2/20 0.36
CRY2 Q49AN0 2/20 0.36
CYP19A1 P11511 1/20 0.34
F2 P00734 1/20 0.33
TSHR P16473 1/20 0.33
GRIA4 P48058 1/20 0.33
TRPA1 O75762 2/20 0.32
MAPT P10636 1/20 0.31
RIPK1 Q13546 1/20 0.31
ROCK2 O75116 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL909438 0.85 PER2 (0.33) PER2CRY2
SCHEMBL909482 0.84 TSHR (0.45) PER2CRY2CYP19A1TSHRGRIA4
Hydrochloric Acid SCHEMBL909058 0.84 PER2 (0.33) PER2CRY2
SCHEMBL909327 0.83 TRPA1 (0.44) PER2CRY2TSHRTRPA1MAPT
SCHEMBL908588 0.82 APOL1 (0.32) RIPK1
SCHEMBL908994 0.80 L3MBTL1 (0.39) GRIA4
SCHEMBL908834 0.76 PGR (0.38) TRPA1MAPT
SCHEMBL909596 0.76 SLC6A2 (0.40) CYP19A1TSHRTRPA1
SCHEMBL909255 0.76 SLC6A2 (0.40) TRPA1RIPK1
SCHEMBL908449 0.76 CHRM2 (0.47) PER2CRY2TSHRKMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2181992-B1 POLYCYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2013-05-01 EP disclosed
EP-2559693-A1 Polycyclic compound Eisai R&D Management Co., Ltd. (JP) 2013-02-20 EP disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 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 (3 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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 PER2 869/4885CRY2 1790/4885CYP19A1 266/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 PER2 1859/4885CRY2 1571/4885CYP19A1 1288/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 PER2 943/4885CRY2 1269/4885CYP19A1 449/4885

“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.