SCHEMBL20161992

SCHEMBL20161992

CCn1cnc(N(C)CC=O)c1C(=O)NC

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.31
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC8 Q9BY41 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
SCHEMBL6092162 0.72 APOBEC3A (0.36) HDAC1HDAC8
SCHEMBL19036600 0.71 YTHDC1 (0.37) —
SCHEMBL9010481 0.68 CYP2C19 (0.34) PDE10AHDAC1
SCHEMBL30800978 0.63 POLB (0.38) —
SCHEMBL22902731 0.61 APOBEC3A (0.37) —
SCHEMBL9067856 0.60 APOBEC3A (0.46) HDAC1HDAC8
SCHEMBL12724350 0.60 ALDH1A1 (0.44) —
SCHEMBL31332867 0.60 ALDH1A1 (0.38) HDAC1HDAC8
SCHEMBL9010469 0.60 IKBKB (0.36) HDAC1
SCHEMBL28861349 0.59 ADORA2A (0.33) HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 — — 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 (1 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 PDE10A 945/4885HDAC1 1782/4885HDAC8 1676/4885

“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.

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