SCHEMBL19607680

SCHEMBL19607680

Cn1c(=O)n(CC2CCC(O)(C(F)(F)F)CO2)c(=O)c2c1ncn2CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ TRPA1 O75762 11/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 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
SCHEMBL24611655 0.96 KMT2A (0.46) KMT2ATRPA1RXFP1ALDH1A1LMNA
SCHEMBL17682147 0.86 TRPA1 (0.48) TRPA1RXFP1LMNACYP1A2NFKB1
SCHEMBL19607674 0.86 KMT2A (0.47) KMT2ATRPA1RXFP1ALDH1A1LMNA
SCHEMBL24611663 0.85 KMT2A (0.44) KMT2ATRPA1RXFP1ALDH1A1LMNA
SCHEMBL18819573 0.85 KMT2A (0.47) KMT2ATRPA1RXFP1ALDH1A1LMNA
SCHEMBL17682279 0.84 KMT2A (0.48) KMT2ATRPA1RXFP1ALDH1A1LMNA
SCHEMBL17682280 0.84 KMT2A (0.48) KMT2ATRPA1RXFP1ALDH1A1LMNA
SCHEMBL17682249 0.84 KMT2A (0.48) KMT2ATRPA1RXFP1ALDH1A1LMNA
SCHEMBL24611654 0.83 TRPA1 (0.56) KMT2ATRPA1
SCHEMBL20182588 0.80 KMT2A (0.47) KMT2ATRPA1RXFP1LMNAMAPT

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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 — — 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-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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