SCHEMBL17857468

SCHEMBL17857468

CCOC(=O)C[C@@H](Nc1cc(=O)n(C(C)C)c(=O)[nH]1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.60
▸ CYP2B6 P20813 1/20 0.60
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ F10 P00742 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL17841304 0.88 CYP3A4 (0.69) CYP3A4CYP2B6HTTSMN1; SMN2LMNA
SCHEMBL17841303 0.88 CYP3A4 (0.69) CYP3A4CYP2B6HTTSMN1; SMN2LMNA
SCHEMBL16320771 0.83 CYP3A4 (0.72) CYP3A4CYP2B6HTTSMN1; SMN2POLB
SCHEMBL16320772 0.83 CYP3A4 (0.72) CYP3A4CYP2B6HTTSMN1; SMN2POLB
SCHEMBL16322092 0.82 CYP3A4 (0.70) CYP3A4CYP2B6HTTSMN1; SMN2POLB
SCHEMBL16322089 0.82 CYP3A4 (0.70) CYP3A4CYP2B6HTTSMN1; SMN2POLB
SCHEMBL16320781 0.81 CYP3A4 (0.69) CYP3A4CYP2B6HTTSMN1; SMN2POLB
SCHEMBL16320779 0.81 CYP3A4 (0.69) CYP3A4CYP2B6HTTSMN1; SMN2POLB
SCHEMBL16356127 0.80 CYP3A4 (0.67) CYP3A4CYP2B6HTTSMN1; SMN2POLB
SCHEMBL17861559 0.77 PGR (0.40) ALDH1A1ROCK2TP53THRB

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-9663516-B2 Bicyclic-pyrimidinedione compounds MyoKardia, Inc. (US) 2017-05-30 — — US disclosed
US-9663516-B2 Bicyclic-pyrimidinedione compounds MyoKardia, Inc. (US) 2017-05-30 — — US disclosed
US-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2016-06-23 — — US disclosed
US-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2016-06-23 — — 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-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS TNNI3, NME4, TNNT2 CYP3A4 2865/4885CYP2B6 1968/4885HTT 268/4885

“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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