SCHEMBL7911528

SCHEMBL7911528

O[C@H]1C=C(c2cccnc2F)CCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA6 Q15825 1/20 0.36
NAPRT Q6XQN6 1/20 0.33
PDK2 Q15119 1/20 0.32
CYP11B2 P19099 1/20 0.31
KCNH2 Q12809 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
HCAR2 Q8TDS4 2/20 0.30
SLC18A3 Q16572 1/20 0.30
COMT P21964 1/20 0.30
MAPT P10636 1/20 0.30
PIM1 P11309 2/20 0.30
PIM2 Q9P1W9 2/20 0.30
ALDH1A1 P00352 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
SCHEMBL13331733 1.00 CHRNB2 (0.36) CHRNB2CHRNA6NAPRTPDK2CYP11B2
SCHEMBL13331721 1.00 CHRNB2 (0.36) CHRNB2CHRNA6NAPRTPDK2CYP11B2
SCHEMBL2458240 0.91 NAPRT (0.35) CHRNB2CHRNA6NAPRTPDK2CYP11B2
SCHEMBL13362187 0.82 CHRNB2 (0.39) CHRNB2CHRNA6NAPRTCYP11B2KCNH2
SCHEMBL13362186 0.82 CHRNB2 (0.39) CHRNB2CHRNA6NAPRTCYP11B2KCNH2
SCHEMBL2459656 0.74 PDE10A (0.43) NAPRTPDK2
SCHEMBL14874972 0.72 KDM1A (0.33) NAPRTSLC18A3
SCHEMBL12030457 0.71 TDP1 (0.41) CYP11B2
SCHEMBL13361582 0.70 HDAC4 (0.35) CHRNB2CHRNA6NAPRTCYP11B2
SCHEMBL2456318 0.69 TDP2 (0.35) CHRNB2CHRNA6NAPRTCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 US disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 US disclosed
EP-2376455-B1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
WO-2010077992-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-07-08 WO disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 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-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A CHRNB2 2624/4885CHRNA6 1091/4885NAPRT 284/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A CHRNB2 2624/4885CHRNA6 1091/4885NAPRT 284/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D CHRNB2 1128/4885CHRNA6 185/4885NAPRT 1066/4885

“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.