SCHEMBL2619972

SCHEMBL2619972

CC(C)(C)OC(=O)NC1=N[C@@]2(c3cc([N+](=O)[O-])ccc3OC(F)(F)F)CCOC[C@H]2CS1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
BACE1 P56817 1/20 0.33
WNT3A P56704 1/20 0.32
DRD2 P14416 1/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 1/20 0.32
CRHBP P24387 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR2 Q13324 1/20 0.32
BCL2 P10415 2/20 0.32
BECN1 Q14457 2/20 0.32
IDH1 O75874 2/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
ALOX5 P09917 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL8023151 0.89 BACE1 (0.37) GNRHRSMN1; SMN2SIRT2BACE1DRD2
SCHEMBL2620022 0.89 BACE1 (0.37) GNRHRSMN1; SMN2SIRT2BACE1DRD2
SCHEMBL13009265 0.89 BACE1 (0.37) GNRHRSMN1; SMN2SIRT2BACE1DRD2
SCHEMBL2622883 0.88 SIRT2 (0.34) GNRHRSMN1; SMN2SIRT2DRD2MAPT
SCHEMBL9913101 0.88 BACE1 (0.46) GNRHRSMN1; SMN2SIRT2BACE1WNT3A
SCHEMBL7923706 0.88 BACE1 (0.46) GNRHRSMN1; SMN2SIRT2BACE1WNT3A
SCHEMBL2619979 0.88 BACE1 (0.38) BACE1IDH1
SCHEMBL2619823 0.82 BACE1 (0.37) BACE1
SCHEMBL8031555 0.82 BACE1 (0.49) BACE1
SCHEMBL2619971 0.82 BACE1 (0.49) BACE1

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-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 US disclosed
US-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 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-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 GNRHR 3421/4885SMN1; SMN2 1291/4885SIRT2 2784/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 GNRHR 3421/4885SMN1; SMN2 1291/4885SIRT2 2784/4885

“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.