SCHEMBL21834864

SCHEMBL21834864

C1=C2Sc3ccccc3N=C2CCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
BACE1 P56817 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
CYP19A1 P11511 1/20 0.33
TRPA1 O75762 1/20 0.33
BCHE P06276 3/20 0.32
ACHE P22303 3/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL11842031 0.68 TDP1 (0.35) TRPA1
SCHEMBL28003519 0.67 ACHE (0.34) ACHE
SCHEMBL30485646 0.67 ACHE (0.34) ACHE
SCHEMBL2536697 0.67 TRPA1 (0.36) DRD2BACE1NPC1MAPTPKM
SCHEMBL28065389 0.66 MEN1 (0.36) MAPTRAB9AACHE
SCHEMBL29309866 0.65 MAOA (0.35) MAPTBCHEACHE
SCHEMBL27971179 0.64 GPR84 (0.33) TRPA1
SCHEMBL882180 0.63 TRPA1 (0.36) DRD2BACE1TRPA1
SCHEMBL21835118 0.62 TRPA1 (0.35) DRD2BACE1NPC1MAPTPKM
SCHEMBL30518953 0.61 DRD2 (0.38) DRD2BACE1TRPA1BCHE

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-20220040318-A1 PRIMARY AMINE COMPOUND OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2022-02-10 US disclosed
US-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2020-05-07 US disclosed
WO-2020067507-A1 PRIMARY AMINE COMPOUND- OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE, AND METHOD FOR PRODUCING SAME 生化学工業株式会社 2020-04-02 WO 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-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SOAT1, SLC7A1, ODC1 DRD2 374/4885BACE1 3743/4885NPC1 668/4885
US-20220040318-A1 PRIMARY AMINE COMPOUND OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE AND PRODUCTION METHOD THEREFOR ALG1, NGLY1, SAT1 DRD2 44/4885BACE1 3078/4885NPC1 2819/4885

“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.