SCHEMBL22355887

SCHEMBL22355887

CC(C)NCCN1CCC(O)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ KCNA3 P22001 1/20 0.36
▸ HRH3 Q9Y5N1 4/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ PRMT1 Q99873 1/20 0.35
▸ PRMT8 Q9NR22 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ DPP4 P27487 2/20 0.33
▸ HRH2 P25021 2/20 0.33
▸ HRH1 P35367 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL25555041 1.00 PDCD1 (0.38) PDCD1CD274KCNA3HRH3CARM1
SCHEMBL18233594 1.00 PDCD1 (0.38) PDCD1CD274KCNA3HRH3CARM1
SCHEMBL12309907 0.90 PDCD1 (0.42) PDCD1CD274KCNA3HRH3LTA4H
SCHEMBL12309178 0.90 PDCD1 (0.42) PDCD1CD274KCNA3HRH3LTA4H
SCHEMBL13659629 0.89 CARM1 (0.41) KCNA3HRH3CARM1PRMT6PRMT1
SCHEMBL17703886 0.85 MEN1 (0.33) CARM1PRMT6PRMT8MEN1ALDH1A1
SCHEMBL18233585 0.80 CARM1 (0.36) HRH3CARM1PRMT6PRMT1PRMT8
SCHEMBL18233587 0.80 CARM1 (0.36) HRH3CARM1PRMT6PRMT1PRMT8
SCHEMBL12477864 0.79 CARM1 (0.57) CARM1PRMT6PRMT1PRMT8LTA4H
SCHEMBL12352567 0.79 CARM1 (0.57) CARM1PRMT6PRMT1PRMT8LTA4H

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
WO-2021031952-A1 OXYGEN-SUBSTITUTED SIX-MEMBERED RING PYRIMIDINE COMPOUND, PREPARATION METHOD AND MEDICAL USE THEREOF 劲方医药科技(上海)有限公司 2021-02-25 — — WO disclosed
US-10882883-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2021-01-05 — — US disclosed
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B ELION THERAPEUTICS, INC. 2020-08-20 — — 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-10882883-B2 Derivatives of amphotericin B C9, ERG28, AMPD3 PDCD1 3454/4885CD274 4009/4885KCNA3 1335/4885
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B C9, ERG28, AMPD3 PDCD1 3454/4885CD274 4009/4885KCNA3 1335/4885

“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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