SCHEMBL2595709

SCHEMBL2595709

O=C(O)N1CC(c2cccnc2F)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.46
NAPRT Q6XQN6 1/20 0.45
PDE10A Q9Y233 3/20 0.41
SPR P35270 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
RBP4 P02753 1/20 0.37
GRM1 Q13255 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
P2RX7 Q99572 1/20 0.36
HSD11B1 P28845 2/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
RPLP1 P05386 1/20 0.35
RPLP0 P05388 1/20 0.35
RPS17 P08708 1/20 0.35
RPSA P08865 1/20 0.35
RPS2 P15880 1/20 0.35

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
SCHEMBL3319287 0.88 HCAR2 (0.46) HCAR2NAPRTSPRPROKR1RBP4
SCHEMBL23235688 0.85 HCAR2 (0.47) HCAR2NAPRTSPRRBP4RPLP1
SCHEMBL2596096 0.79 POLB (0.47) HCAR2PDE10AGRM1
SCHEMBL2595721 0.79 PDE10A (0.62) PDE10A
SCHEMBL3320639 0.79 PDE10A (0.47) PDE10APROKR1HSD11B1
SCHEMBL15529677 0.78 NPC1 (0.52) CYP2C9
SCHEMBL3321668 0.77 PROKR1 (0.51) PDE10APROKR1
SCHEMBL2546639 0.75 HCAR2 (0.49) HCAR2NAPRTCYP2C19P2RX7
SCHEMBL2546634 0.75 HCAR2 (0.49) HCAR2NAPRTCYP2C19P2RX7
SCHEMBL3319484 0.75 KDM4E (0.48) PDE10ASPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
EP-2569300-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS Amgen Inc. (US) 2013-03-20 EP disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO 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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A HCAR2 1256/4885NAPRT 438/4885PDE10A 1/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A HCAR2 1256/4885NAPRT 438/4885PDE10A 1/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A HCAR2 1256/4885NAPRT 438/4885PDE10A 1/4885

“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.