SCHEMBL16145255

SCHEMBL16145255

[2H]C([2H])([2H])n1cc(CC2CCN(C(=O)OCc3ccccc3)CC2)c2cc(-c3c(C)noc3C)cnc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.54
SMN1; SMN2 Q16637 2/20 0.44
GRIN2B Q13224 6/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
FTO Q9C0B1 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL19565468 0.95 BRD4 (0.61) BRD4SMN1; SMN2GRIN2BCYP3A4CYP2D6
SCHEMBL19184905 0.88 BRD4 (0.51) BRD4SMN1; SMN2GRIN2BCYP3A4CYP2D6
SCHEMBL16145282 0.85 BRD4 (0.57) BRD4
SCHEMBL16145273 0.82 BRD4 (0.64) BRD4SMN1; SMN2
SCHEMBL16145187 0.80 BRD4 (0.62) BRD4SMN1; SMN2CYP3A4CYP2D6FAAH
SCHEMBL19968956 0.78 BRD4 (0.52) BRD4CYP3A4FTO
SCHEMBL16145153 0.77 BRD4 (0.66) BRD4SMN1; SMN2
SCHEMBL16145332 0.77 BRD4 (0.66) BRD4SMN1; SMN2
SCHEMBL16153773 0.76 BRD4 (0.58) BRD4
SCHEMBL16145261 0.76 BRD4 (0.75) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970265-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC (US) 2018-08-08 EP disclosed
US-20180072722-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2018-03-15 US disclosed
US-9822109-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-11-21 US disclosed
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 US disclosed
US-9718847-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-08-01 US disclosed
US-9718847-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-08-01 US disclosed
US-20160068528-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2016-03-10 US disclosed
US-20160068528-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2016-03-10 US disclosed
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2015-05-14 US disclosed
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2015-05-14 US disclosed
US-20140303121-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2014-10-09 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 (5 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-20140303121-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885SMN1; SMN2 1742/4885GRIN2B 1093/4885
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885SMN1; SMN2 1742/4885GRIN2B 1093/4885
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885SMN1; SMN2 1742/4885GRIN2B 1093/4885
US-20160068528-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885SMN1; SMN2 1742/4885GRIN2B 1093/4885
US-20180072722-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885SMN1; SMN2 1742/4885GRIN2B 1093/4885

“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.