SCHEMBL24814482

SCHEMBL24814482

COc1ccc2c(CC(=O)C(C)C)c[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.60
MTNR1B P49286 3/20 0.60
KDM4E B2RXH2 2/20 0.59
HTR2A P28223 2/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 4/20 0.56
HTR6 P50406 1/20 0.56
HTR1A P08908 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
TUBB1 Q9H4B7 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
GPR84 Q9NQS5 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL2625194 0.89 KDM4E (0.75) MTNR1AMTNR1BKDM4EHTR2AMEN1
SCHEMBL30048580 0.86 KDM4E (0.79) MTNR1AMTNR1BKDM4EHTR2AMEN1
SCHEMBL8581146 0.86 KDM4E (0.79) MTNR1AMTNR1BKDM4EHTR2AMEN1
SCHEMBL6951691 0.84 MTNR1A (0.61) MTNR1AMTNR1BKDM4EHTR2AMEN1
SCHEMBL8581128 0.84 MTNR1A (0.61) MTNR1AMTNR1BKDM4EHTR2AMEN1
SCHEMBL4854372 0.84 HTR2A (0.63) MTNR1AMTNR1BKDM4EHTR2AMEN1
SCHEMBL25139741 0.83 MTNR1A (0.60) MTNR1AMTNR1BKDM4EHTR2AMEN1
SCHEMBL25277741 0.82 HTR6 (0.61) MTNR1AMTNR1BKDM4EHTR2AMEN1
SCHEMBL25139838 0.81 PARP15 (0.45) MTNR1AMTNR1BKDM4EHTR2A
SCHEMBL25139540 0.81 HTR2A (0.55) MTNR1AMTNR1BKDM4EHTR2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
WO-2022272106-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 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-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 MTNR1A 2726/4885MTNR1B 2417/4885KDM4E 2512/4885

“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.