SCHEMBL7916615

SCHEMBL7916615

CCCCOC[C@H]1C[C@H]2CON[C@@]2(c2ccccc2F)CO1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.46
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NCEH1 Q6PIU2 1/20 0.33
BACE2 Q9Y5Z0 2/20 0.33

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
SCHEMBL17794224 0.89 BACE1 (0.44) BACE1SMN1; SMN2ALDH1A1TDP1BACE2
SCHEMBL7930223 0.87 BACE1 (0.37) BACE1SMN1; SMN2ALDH1A1TDP1BACE2
SCHEMBL9913405 0.85 BACE1 (0.53) BACE1BACE2
SCHEMBL2632264 0.85 SMN1; SMN2 (0.39) BACE1SMN1; SMN2ALDH1A1TDP1USP2
SCHEMBL1935410 0.84 BACE1 (0.50) BACE1BACE2
SCHEMBL14716596 0.75 BACE1 (0.61) BACE1BACE2
SCHEMBL17794275 0.74 BACE1 (0.40) BACE1SMN1; SMN2ALDH1A1TDP1BACE2
SCHEMBL18133256 0.74 BACE1 (0.44) BACE1ALDH1A1BACE2
SCHEMBL1934384 0.74 BACE1 (0.47) BACE1BACE2
SCHEMBL1935428 0.74 BACE1 (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 US disclosed
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-25 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
WO-2010038686-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) 2010-04-08 WO 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-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP BACE1 1/4885SMN1; SMN2 1838/4885ALDH1A1 2506/4885
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885SMN1; SMN2 2806/4885ALDH1A1 1687/4885

“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.