SCHEMBL4074523

SCHEMBL4074523

Cc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)SCC34CC4)c2)cn1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.71
BACE2 Q9Y5Z0 11/20 0.57
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4078021 0.83 BACE1 (1.00) BACE1BACE2NPC1RAB9ASMN1; SMN2
SCHEMBL4078136 0.79 BACE1 (0.44) BACE1BACE2
SCHEMBL4078985 0.77 BACE1 (0.39) BACE1BACE2RAB9A
SCHEMBL4083464 0.77 BACE1 (0.81) BACE1BACE2
SCHEMBL18636674 0.76 BACE1 (0.61) BACE1BACE2
SCHEMBL4083288 0.74 BACE1 (0.84) BACE1BACE2NPC1RAB9ASMN1; SMN2
SCHEMBL4078652 0.73 BACE1 (1.00) BACE1BACE2NPC1RAB9ASMN1; SMN2
SCHEMBL4088724 0.73 BACE1 (0.78) BACE1BACE2
SCHEMBL18636958 0.72 BACE1 (0.65) BACE1BACE2
SCHEMBL10155190 0.71 BACE1 (0.82) BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 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-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 BACE1 5/4885BACE2 14/4885NPC1 1435/4885

“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.