SCHEMBL18208530

SCHEMBL18208530

COCCc1cnc2c(C(=O)O)cnn2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 10/20 0.45
HSD11B1 P28845 2/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
IRAK4 Q9NWZ3 3/20 0.39
PDE3A Q14432 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NR3C1 P04150 1/20 0.36

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
SCHEMBL359027 0.82 KDM4E (0.58) PDE2AHSD11B1KDM4EALDH1A1TDP1
SCHEMBL358900 0.82 ALDH1A1 (0.37) PDE2AHSD11B1KDM4EALDH1A1TDP1
SCHEMBL23728540 0.81 PDE2A (0.43) PDE2AKDM4EALDH1A1TDP1MEN1
SCHEMBL358957 0.80 KDM4E (0.49) PDE2AHSD11B1KDM4EALDH1A1TDP1
SCHEMBL12505460 0.79 IRAK4 (0.43) PDE2AHSD11B1KDM4EALDH1A1TDP1
SCHEMBL359148 0.75 HSD11B1 (0.52) PDE2AHSD11B1KDM4EALDH1A1TDP1
SCHEMBL10280883 0.75 KDM4E (0.37) PDE2AHSD11B1KDM4EALDH1A1TDP1
SCHEMBL310126 0.72 PDE2A (0.59) PDE2AHSD11B1KDM4EALDH1A1TDP1
SCHEMBL14033681 0.71 PDE2A (0.39) PDE2AKDM4EALDH1A1TDP1MEN1
SCHEMBL12505413 0.71 IRAK4 (0.43) PDE2AKDM4EALDH1A1TDP1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 US disclosed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 US disclosed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 US disclosed
EP-3292107-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-03-14 EP disclosed
WO-2016177658-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 WO disclosed
WO-2016177658-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES C1R, C9, C1S PDE2A 1582/4885HSD11B1 1812/4885KDM4E 2120/4885

“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.