SCHEMBL9988896

SCHEMBL9988896

O=C(O)N1CCC(c2ncccc2N2CCc3ccccc32)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.66
HSD11B1 P28845 6/20 0.43
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ROCK1 Q13464 1/20 0.40
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.39
ACKR3 P25106 1/20 0.39
OPRL1 P41146 1/20 0.38
KCNH2 Q12809 1/20 0.38
STAT3 P40763 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL7699956 0.84 PDE10A (0.58) PDE10ALMNA
SCHEMBL7701552 0.80 PDE10A (0.56) PDE10AMAPK8MAPK9ALDH1A1ROCK1
SCHEMBL7700859 0.80 PDE10A (1.00) PDE10A
Hydrochloric Acid SCHEMBL9988228 0.79 PDE10A (0.55) PDE10AMAPK8MAPK9ALDH1A1ROCK1
SCHEMBL9988179 0.75 PDE10A (0.64) PDE10AALDH1A1HSD17B10LMNATSHR
SCHEMBL31142899 0.74 MYC (0.50) PDE10AMAPTALDH1A1ROCK1LMNA
SCHEMBL9988573 0.74 PDE10A (0.43) PDE10ALMNAMAPK1OPRL1TRPV1
SCHEMBL1577713 0.72 PDE10A (0.44) PDE10AHSD11B1TRPV1
SCHEMBL1459053 0.71 TRPV1 (0.66) PDE10AHSD11B1TRPV1
SCHEMBL9988088 0.70 PDE10A (0.63) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A PDE10A 1/4885HSD11B1 85/4885MAPK8 1623/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A PDE10A 1/4885HSD11B1 85/4885MAPK8 1623/4885

“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.