SCHEMBL20205938

SCHEMBL20205938

COC1CCC(Cn2c(=O)c3c(ncn3CC3CCCC3)n(C)c2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
ADORA2B P29275 5/20 0.44
RXFP1 Q9HBX9 1/20 0.43
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
PDE5A O76074 2/20 0.42
TRPA1 O75762 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
HIF1A Q16665 1/20 0.41
BCHE P06276 1/20 0.41
CASP1 P29466 1/20 0.40
MAPT P10636 1/20 0.40
ADORA2A P29274 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL18256653 0.97 KMT2A (0.51) KMT2AADORA2BPDE4APDE4BPDE4C
SCHEMBL18256621 0.86 ADORA2B (0.60) ADORA2BRXFP1PDE4APDE4BPDE4C
SCHEMBL20205963 0.86 KMT2A (0.42) KMT2AADORA2BRXFP1PDE4APDE4B
SCHEMBL17682304 0.84 KMT2A (0.54) KMT2AADORA2BPDE4APDE4BPDE4C
SCHEMBL20182588 0.82 KMT2A (0.47) KMT2AADORA2BRXFP1TRPA1SMN1; SMN2
SCHEMBL18819581 0.82 KMT2A (0.50) KMT2AADORA2BRXFP1PDE4ATRPA1
SCHEMBL18256137 0.81 KMT2A (0.66) KMT2AADORA2BRXFP1SMN1; SMN2POLB
SCHEMBL18819083 0.80 KMT2A (0.48) KMT2AADORA2BRXFP1PDE4APDE4B
SCHEMBL18256065 0.80 KMT2A (0.64) KMT2AADORA2BRXFP1SMN1; SMN2MAPT
SCHEMBL18819714 0.80 ADORA2B (0.59) ADORA2BRXFP1PDE4APDE4BPDE4C

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-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-31 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-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A KMT2A 3573/4885ADORA2B 93/4885RXFP1 1186/4885

“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.