SCHEMBL15617801

SCHEMBL15617801

CC1(O)CN(C(=O)C(C)(C)C)C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RIPK1 Q13546 1/20 0.33
CYP3A4 P08684 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
RORC P51449 1/20 0.31
EPHX2 P34913 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL17886961 0.83 MEN1 (0.34) MEN1KMT2ARIPK1CYP3A4HDAC8
SCHEMBL20469357 0.83 CYP3A4 (0.38) MEN1KMT2ARIPK1CYP3A4HDAC6
SCHEMBL13223564 0.83 CYP3A4 (0.38) MEN1KMT2ARIPK1CYP3A4HDAC6
SCHEMBL20469356 0.83 CYP3A4 (0.38) MEN1KMT2ARIPK1CYP3A4HDAC6
SCHEMBL22991226 0.80 RIPK1 (0.38) MEN1KMT2ARIPK1CYP3A4HDAC6
SCHEMBL23075157 0.79 SMN1; SMN2 (0.34) SMN1; SMN2EPHX2
SCHEMBL15490630 0.79 RORC (0.33) MEN1KMT2ARIPK1HDAC8HDAC6
SCHEMBL13223563 0.77 CYP3A4 (0.43) MEN1KMT2ARIPK1CYP3A4HDAC6
SCHEMBL18701918 0.77 MEN1 (0.32) MEN1KMT2ARIPK1HDAC8HDAC6
SCHEMBL13967114 0.77 MEN1 (0.32) MEN1KMT2ARIPK1CYP3A4HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-8680090-B2 Sulfonyl containing benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-25 US disclosed
US-20140011799-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 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 (2 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-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 MEN1 1500/4885KMT2A 2809/4885RIPK1 2773/4885
US-20140011799-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE MEN1 4770/4885KMT2A 2147/4885RIPK1 3982/4885

“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.