SCHEMBL2622880

SCHEMBL2622880

Cc1ccccc1[C@]1(N)CCOC[C@H]1CO

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
HSD11B1 P28845 1/20 0.30
PDK2 Q15119 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL2619826 0.83 BACE1 (0.34) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL8023134 0.83 BACE1 (0.34) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL12391079 0.78 MMP1 (0.35) HDAC4HSD11B1
SCHEMBL2632348 0.77 BACE1 (0.39)
SCHEMBL2966687 0.69 BACE1 (0.39) HDAC4
SCHEMBL12690000 0.69 BACE1 (0.39) HDAC4
SCHEMBL2619831 0.69 BACE1 (0.39) HDAC4
SCHEMBL2620026 0.67 OPRL1 (0.35) OPRL1
SCHEMBL16976802 0.67 HDAC4 (0.33) HDAC4
SCHEMBL8033541 0.66

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-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 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 (3 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 HDAC4 2401/4885OPRM1 3655/4885OPRD1 1619/4885
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 HDAC4 2401/4885OPRM1 3655/4885OPRD1 1619/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 HDAC4 2053/4885OPRM1 3861/4885OPRD1 2571/4885

“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.