SCHEMBL9988016

SCHEMBL9988016

O=C(O)N1CC=C(c2nccnc2C2CNC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.47
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LIMK1 P53667 2/20 0.36
LIMK2 P53671 2/20 0.36
TNK2 Q07912 3/20 0.36
TRPV1 Q8NER1 3/20 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
SCHEMBL2596284 0.83 PDE10A (0.62) PDE10ATNK2
SCHEMBL23235670 0.76 ALDH1A1 (0.43) PDE10AALDH1A1SMN1; SMN2TNK2TRPV1
SCHEMBL9988855 0.74 PDE10A (0.70) PDE10A
SCHEMBL27934371 0.74 PDE10A (0.84) PDE10A
SCHEMBL2596306 0.73 PDE10A (0.40) PDE10ATRPV1
SCHEMBL6649430 0.70 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LIMK1LIMK2TRPV1
SCHEMBL27911596 0.70 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LIMK1LIMK2TNK2
SCHEMBL14655987 0.70 KDM4E (0.53) ALDH1A1SMN1; SMN2TRPV1
SCHEMBL2595677 0.70 SIGMAR1 (0.39) ALDH1A1
SCHEMBL10317879 0.69 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TRPV1

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 1/4885ALDH1A1 526/4885SMN1; SMN2 1563/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A PDE10A 1/4885ALDH1A1 526/4885SMN1; SMN2 1563/4885

“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.