SCHEMBL20580508

SCHEMBL20580508

CC(=O)NC1CCC(c2cc(Cl)cc3c2cnn3C(C)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
HTR2A P28223 3/20 0.36
DRD3 P35462 3/20 0.36
CASP3 P42574 1/20 0.34
CDK9 P50750 1/20 0.34
CASP7 P55210 1/20 0.34
CYP11B2 P19099 6/20 0.34
CYP11B1 P15538 5/20 0.34
TYK2 P29597 1/20 0.34
PTGER3 P43115 1/20 0.33
MAPK14 Q16539 1/20 0.33
LRRK2 Q5S007 1/20 0.33
KDM1A O60341 1/20 0.33
DRD2 P14416 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SMO Q99835 1/20 0.32

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
SCHEMBL30610195 1.00 CREBBP (0.36) CREBBPIRAK4HTR2ADRD3CASP3
SCHEMBL30610188 0.74 IDO1 (0.42)
SCHEMBL20580607 0.74 IDO1 (0.42)
SCHEMBL3608159 0.69 CHEK1 (0.48) CREBBPMAPK14
SCHEMBL12499174 0.68 CREBBP (0.45) CREBBPMAPK14
SCHEMBL15491013 0.68 CREBBP (0.42) CREBBPCYP11B2MAPK14
SCHEMBL17731756 0.64 IDO1 (0.41)
SCHEMBL31687246 0.61 JAK1 (0.43) DRD3TYK2KDM1ADRD2
SCHEMBL6433955 0.60 TYR (0.45) HTR2ADRD3DRD2
SCHEMBL50350 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111943890-B Pharmaceutical compounds 艾欧米制药有限公司 2023-10-31 CN disclosed
US-11130738-B2 Pharmaceutical compound IOMET PHARMA LTD. (GB) 2021-09-28 US disclosed
US-11130738-B2 Pharmaceutical compound IOMET PHARMA LTD. (GB) 2021-09-28 US disclosed
CN-111943890-A Pharmaceutical compounds 艾欧米制药有限公司 2020-11-17 CN disclosed
CN-107108556-B Pharmaceutical compounds 艾欧米制药有限公司 2020-09-29 CN disclosed
US-20200172492-A1 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD. (GB) 2020-06-04 US disclosed
US-20200172492-A1 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD. (GB) 2020-06-04 US disclosed
US-10590086-B2 Pharmaceutical compound IOMET PHARMA LTD. (GB) 2020-03-17 US disclosed
US-20180354908-A1 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD. (GB) 2018-12-13 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 (4 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-11130738-B2 Pharmaceutical compound IDO1, TDO2, IDO2 CREBBP 4574/4885IRAK4 3137/4885HTR2A 511/4885
US-20200172492-A1 PHARMACEUTICAL COMPOUND IDO1, TDO2, IDO2 CREBBP 4574/4885IRAK4 3137/4885HTR2A 511/4885
US-10590086-B2 Pharmaceutical compound IDO1, TDO2, IDO2 CREBBP 4574/4885IRAK4 3137/4885HTR2A 511/4885
US-20180354908-A1 PHARMACEUTICAL COMPOUND IDO1, TDO2, IDO2 CREBBP 4574/4885IRAK4 3137/4885HTR2A 511/4885

“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.