SCHEMBL23485121

SCHEMBL23485121

CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1ccccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PDK1 Q15118 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ PDK3 Q15120 1/20 0.43
▸ PDK4 Q16654 1/20 0.43
▸ GAA P10253 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ TAS1R2 Q8TE23 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HTRA1 Q92743 1/20 0.40

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
SCHEMBL29510632 1.00 CYP1A2 (0.48) CYP1A2POLBCYP3A4CYP2C19KMT2A
SCHEMBL21874104 0.84 TAS1R3 (0.46) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL29545260 0.82 CFD (0.47) CYP1A2POLBCYP3A4CYP2C19KMT2A
SCHEMBL18611278 0.82 CFD (0.47) CYP1A2POLBCYP3A4CYP2C19KMT2A
SCHEMBL30945061 0.82 HDAC8 (0.51) CYP1A2POLBCYP3A4CYP2C19KMT2A
SCHEMBL21964293 0.81 KMT2A (0.64) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL17039236 0.80 CYP1A2 (0.49) CYP1A2POLBCYP3A4CYP2C19KMT2A
SCHEMBL18591370 0.80 CYP1A2 (0.48) CYP1A2POLBCYP3A4CYP2C19KMT2A
SCHEMBL29774873 0.79 CFD (0.50) CYP1A2POLBCYP3A4CYP2C19KMT2A
SCHEMBL22542871 0.78 CYP1A2 (0.47) CYP1A2POLBCYP3A4CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 — — 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 (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-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 CYP1A2 4354/4885POLB 1653/4885CYP3A4 4303/4885

“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.

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