SCHEMBL4599515

SCHEMBL4599515

CCOc1cc(B(O)O)c(F)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
HTT P42858 5/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
ESR1 P03372 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM1A O60341 2/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL2916070 0.85 KDM1A (0.38) TDP1HTTLMNAKDM4EPDE4A
SCHEMBL29953693 0.81 KDM1A (0.38) HTTLMNAKDM4EPDE4APDE4B
SCHEMBL2914756 0.81 PDE4D (0.44) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL12887506 0.81 MRGPRX4 (0.44) TDP1HTTLMNAKDM4EPDE4A
SCHEMBL29953209 0.79 KDM4E (0.43) TDP1HTTLMNAKDM4EPDE4A
SCHEMBL17236434 0.79 KDM4E (0.43) TDP1HTTLMNAKDM4EPDE4A
SCHEMBL2944643 0.79 ENPP2 (0.41) HTTLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL19123074 0.79 HTT (0.45) TDP1HTTLMNAKDM4EPDE4A
SCHEMBL19777818 0.76 TSHR (0.42) LMNAKDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL28935316 0.76 TSHR (0.36) TDP1HTTLMNAKDM4EPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376436-B2 2-(pyridin-2yl)-1, 7-diaza-spiro [4.4] nonane-6-one compound as voltage-gated sodium channels modulators Convergence Pharmaceuticals Limited (GB) 2016-06-28 US disclosed
EP-2794612-B1 2-(PYRIDIN-2YL)-1,7-DIAZA-SPIRO[4.4]NONANE-6-ONE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2016-04-06 EP disclosed
US-20150225400-A1 2 - (PYRIDIN- 2YL)- 1, 7 -DIAZA-SPIRO [4.4] NONANE- 6 -ONE COMPOUND AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS Convergence Pharmaceuticals Limited (GB) 2015-08-13 US disclosed
EP-2794612-A1 2 - (PYRIDIN- 2YL) - 1, 7 -DIAZA- SPIRO [4.4]NONANE- 6 -ONE COMPOUNDS AS VOLTAGE - GATED SODIUM CHANNELS MODULATORS Convergence Pharmaceuticals Limited (GB) 2014-10-29 EP disclosed
WO-2013093497-A1 2 - (PYRIDIN- 2YL) - 1, 7 -DIAZA- SPIRO [4.4] NONANE- 6 -ONE COMPOUNDS AS VOLTAGE - GATED SODIUM CHANNELS MODULATORS Convergence Pharmaceuticals Limited (GB) 2013-06-27 WO disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20150225400-A1 2 - (PYRIDIN- 2YL)- 1, 7 -DIAZA-SPIRO [4.4] NONANE- 6 -ONE COMPOUND AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS SCN1A, SCN2A, SCN1B TDP1 3714/4885HTT 1837/4885LMNA 646/4885
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 TDP1 799/4885HTT 3772/4885LMNA 292/4885

“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.