SCHEMBL20116574

SCHEMBL20116574

Cc1ccc2cnn(C3COC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 2/20 0.40
PDE1C Q14123 2/20 0.40
KMO O15229 1/20 0.40
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
PDE1A P54750 1/20 0.37
PIK3CD O00329 4/20 0.36
CHRM3 P20309 2/20 0.36
HTR1A P08908 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1F P30939 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.35
LRRK2 Q5S007 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP11B2 P19099 1/20 0.34
SCD O00767 2/20 0.34

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
SCHEMBL20116281 0.88 PDE1A (0.44) PDE1BPDE1CKMOCHRM2CHRM1
SCHEMBL20116287 0.88 PDE1A (0.44) PDE1BPDE1CKMOCHRM2CHRM1
SCHEMBL20116882 0.88 PDE1A (0.44) PDE1BPDE1CKMOCHRM2CHRM1
SCHEMBL29769207 0.88 POLB (0.43) PDE1BPDE1CCHRM2CHRM1PDE1A
SCHEMBL15339575 0.88 POLB (0.43) PDE1BPDE1CCHRM2CHRM1PDE1A
SCHEMBL20676205 0.86 JAK1 (0.40) PDE1BPDE1CKMOCHRM2CHRM1
SCHEMBL13432160 0.85 KMO (0.43) PDE1BPDE1CKMOCHRM2CHRM1
SCHEMBL19703352 0.85 PDE1A (0.51) PDE1BPDE1CPDE1APIK3CD
SCHEMBL17678157 0.83 KMO (0.41) PDE1BPDE1CKMOCHRM2CHRM1
SCHEMBL20116283 0.81 KHK (0.42) KMOCHRM2CHRM1CHRM3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 PDE1B 860/4885PDE1C 1463/4885KMO 1174/4885

“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.