SCHEMBL18819712

SCHEMBL18819712

Cn1c(=O)n(CC2CCC(C(O)(C(F)(F)F)C(F)(F)F)CC2)c(=O)c2c1ncn2CC1CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ TRPA1 O75762 3/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ADORA2B P29275 6/20 0.39
▸ LMNA P02545 3/20 0.39
▸ PDE4A P27815 3/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL19607817 0.89 KMT2A (0.46) KMT2ATRPA1RXFP1ADORA2BLMNA
SCHEMBL17682253 0.88 ADORA2B (0.50) RXFP1ADORA2BLMNAPDE4ACYP1A2
SCHEMBL17682162 0.88 ADORA2B (0.50) RXFP1ADORA2BLMNAPDE4ACYP1A2
SCHEMBL19607674 0.82 KMT2A (0.47) KMT2ATRPA1RXFP1ADORA2BLMNA
SCHEMBL18819573 0.80 KMT2A (0.47) KMT2ATRPA1RXFP1ADORA2BLMNA
SCHEMBL17682249 0.80 KMT2A (0.48) KMT2ATRPA1RXFP1ADORA2BLMNA
SCHEMBL17682279 0.80 KMT2A (0.48) KMT2ATRPA1RXFP1ADORA2BLMNA
SCHEMBL17682280 0.80 KMT2A (0.48) KMT2ATRPA1RXFP1ADORA2BLMNA
SCHEMBL17682304 0.80 KMT2A (0.54) KMT2ATRPA1ADORA2BLMNAPDE4A
SCHEMBL19607604 0.79 PDE4A (0.46) KMT2ATRPA1RXFP1ADORA2BLMNA

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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 — — US disclosed
WO-2017071606-A1 MEDICAL USE OF HYDROXYL PURINE COMPOUND 南京明德新药研发股份有限公司 2017-05-04 — — 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 (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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A KMT2A 3904/4885TRPA1 3239/4885RXFP1 784/4885

“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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