SCHEMBL22369883

SCHEMBL22369883

NC12CC(c3ncccn3)(C1)C2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31

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
SCHEMBL19385786 0.67 MAOA (0.33) HSP90AA1
Hydrochloric Acid SCHEMBL667557 0.67 HSP90AA1 (0.35) HSP90AA1
SCHEMBL28070877 0.65 HDAC8 (0.33)
SCHEMBL19385802 0.65 PARP1 (0.36) HSP90AA1
SCHEMBL30917930 0.64 ALDH1A1 (0.46) HSP90AA1
Hydrochloric Acid SCHEMBL21222025 0.64 ALDH1A1 (0.33)
SCHEMBL21665187 0.64 HSP90AA1 (0.38) HSP90AA1
SCHEMBL19766534 0.64 ALDH1A1 (0.39)
SCHEMBL2015810 0.63 TSHR (0.42)
SCHEMBL31410536 0.63 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-11242327-B2 Analgesic compounds RECURIUM IP HOLDINGS, LLC (US) 2022-02-08 US disclosed
US-20200270221-A1 ANALGESIC COMPOUNDS KTHERA, LLC 2020-08-27 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-20200270221-A1 ANALGESIC COMPOUNDS INA, IK, ACHE HSP90AA1 1161/4885GRIN2D 614/4885GRIN3B 201/4885
US-11242327-B2 Analgesic compounds INA, IK, ACHE HSP90AA1 1161/4885GRIN2D 614/4885GRIN3B 201/4885

“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.