SCHEMBL20099449

SCHEMBL20099449

CC(=O)N1CC(CNC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.39
CHRNA3 P32297 3/20 0.39
CHRNA4 P43681 3/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39
CHRNB4 P30926 2/20 0.38
CHRNA7 P36544 1/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC3 O15379 3/20 0.36
NAMPT P43490 1/20 0.34
DPP4 P27487 2/20 0.33
EPHX2 P34913 2/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CACNA1H O95180 2/20 0.32
EPHX1 P07099 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL26309066 0.86 EPHX2 (0.40) HDAC1HDAC2HDAC3EPHX2CACNA1H
SCHEMBL21452679 0.84 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24171559 0.83 METAP1 (0.39) HDAC1HDAC2HDAC3DPP4EPHX2
SCHEMBL24171131 0.83 METAP1 (0.39) HDAC1HDAC2HDAC3DPP4EPHX2
SCHEMBL24170784 0.83 METAP1 (0.39) HDAC1HDAC2HDAC3DPP4EPHX2
SCHEMBL29893247 0.81 CHRNB2 (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4569281 0.81 EPHX2 (0.48) HDAC1HDAC2HDAC3DPP4EPHX2
SCHEMBL21452647 0.79 CHRNB2 (0.35) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15447564 0.78 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL17641164 0.76 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198705-B2 Hybrid Amphotericin B derivatives with reduced toxicity THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-12-14 US disclosed
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 US disclosed
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 US 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
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 US disclosed
US-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 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 (6 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-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B CHRNB2 83/4885CHRNA3 77/4885CHRNA4 58/4885
US-10882883-B2 Derivatives of amphotericin B C9, ERG28, AMPD3 CHRNB2 4501/4885CHRNA3 3978/4885CHRNA4 4350/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B CHRNB2 83/4885CHRNA3 77/4885CHRNA4 58/4885
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B C9, ERG28, AMPD3 CHRNB2 4501/4885CHRNA3 3978/4885CHRNA4 4350/4885
US-11198705-B2 Hybrid Amphotericin B derivatives with reduced toxicity ERG28, BAK1, MCL1 CHRNB2 3394/4885CHRNA3 4055/4885CHRNA4 4628/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B CHRNB2 72/4885CHRNA3 75/4885CHRNA4 55/4885

“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.