SCHEMBL20489459

SCHEMBL20489459

Cc1cnc2nc(C3CCCN3C(=O)O)sc2c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 7/20 0.73
CPT2 P23786 2/20 0.38
CPT1A P50416 2/20 0.38
CPT1B Q92523 1/20 0.38
TRPV1 Q8NER1 4/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GRM5 P41594 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
SCHEMBL20489456 1.00 AADAT (0.73) AADATCPT2CPT1ACPT1BTRPV1
SCHEMBL20489687 0.86 AADAT (0.62) AADATCPT2CPT1ACPT1B
SCHEMBL20489689 0.86 AADAT (0.62) AADATCPT2CPT1ACPT1B
SCHEMBL20489418 0.85 AADAT (1.00) AADATCPT2CPT1ACPT1B
SCHEMBL20489417 0.85 AADAT (1.00) AADATCPT2CPT1ACPT1B
SCHEMBL21206590 0.85 AADAT (1.00) AADAT
SCHEMBL20489413 0.82 AADAT (0.52) AADATCPT2CPT1ACPT1BTRPV1
SCHEMBL20489411 0.82 AADAT (0.52) AADATCPT2CPT1ACPT1BTRPV1
SCHEMBL21206843 0.82 AADAT (0.75) AADAT
SCHEMBL20489568 0.82 AADAT (0.75) AADATHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
EP-3372601-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-09-12 EP 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-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND KAT2A, KAT7, KAT5 AADAT 1539/4885CPT2 419/4885CPT1A 298/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 AADAT 1329/4885CPT2 354/4885CPT1A 243/4885

“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.