SCHEMBL909482

SCHEMBL909482

NN1CCCC(c2cccc(F)c2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ROCK2 O75116 1/20 0.45
RIPK1 Q13546 1/20 0.44
HTR2C P28335 1/20 0.41
CYP19A1 P11511 1/20 0.41
PER2 O15055 1/20 0.41
CRY2 Q49AN0 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PIK3C3 Q8NEB9 2/20 0.40
JAK2 O60674 1/20 0.38
NTRK1 P04629 1/20 0.38
GRIA4 P48058 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
GRM5 P41594 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL909338 0.84 PER2 (0.36) TSHRROCK2RIPK1CYP19A1PER2
SCHEMBL908173 0.82 ALDH1A1 (0.44) TSHRHTR2CPIK3C3
SCHEMBL909528 0.82 HTR2C (0.43) HTR2CPIK3C3
SCHEMBL909327 0.81 TRPA1 (0.44) TSHRHTR2CPER2CRY2KDM4E
SCHEMBL908449 0.81 CHRM2 (0.47) TSHRPER2CRY2KMT2A
SCHEMBL908994 0.81 L3MBTL1 (0.39) HTR2CGRIA4
SCHEMBL3705807 0.79 TP53 (0.39) HTR2CPER2CRY2KDM4EPIK3C3
SCHEMBL909596 0.77 SLC6A2 (0.40) TSHRHTR2CCYP19A1
SCHEMBL908834 0.77 PGR (0.38)
SCHEMBL909037 0.77 HTR2A (0.40) TSHRHTR2CKMT2A

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 TSHR 4488/4885ROCK2 1349/4885RIPK1 2278/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 TSHR 3984/4885ROCK2 1549/4885RIPK1 2091/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 TSHR 4674/4885ROCK2 850/4885RIPK1 3256/4885

“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.