SCHEMBL20697362

SCHEMBL20697362

CCCC(CC)C(OC(=O)N(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CTSK P43235 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
NFKB1 P19838 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CA1 P00915 1/20 0.30

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
SCHEMBL20697377 0.84 MMP1 (0.30) CTSK
SCHEMBL18558907 0.80 FAAH (0.39) CTSKCA1CA2
SCHEMBL10891121 0.79 CTSK (0.34) CTSKCHRM1AKR1A1CHRM3HTR2A
SCHEMBL20834212 0.79 CTSK (0.37) CTSKCHRM1AKR1A1CHRM3HTR2A
SCHEMBL6897293 0.77 CHRNB2 (0.39) CHRNB2CHRNA4CTSKCHRM1CHRM3
SCHEMBL16965089 0.77 CHRNB2 (0.39) CHRNB2CHRNA4CHRM1CHRM3TSHR
SCHEMBL16965453 0.77 CHRNB2 (0.35) CHRNB2CHRNA4CHRM1CHRM3
SCHEMBL22844500 0.76 ABCB1 (0.36) CTSKCA1CA2
SCHEMBL26161562 0.76 PRKCA (0.39) CTSKCA1CA2
SCHEMBL22231302 0.75 TSHR (0.38) CTSKTSHR

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
US-10428058-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2019-10-01 US disclosed
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-19 US disclosed
US-20190031648-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2019-01-31 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 (3 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-20190031648-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 CHRNB2 4679/4885CHRNA4 3994/4885CTSK 1006/4885
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 CHRNB2 4679/4885CHRNA4 3994/4885CTSK 1006/4885
US-10428058-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 CHRNB2 4679/4885CHRNA4 3994/4885CTSK 1006/4885

“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.