SCHEMBL9283447

SCHEMBL9283447

CC(C)(C)CN(CC1CC1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ LTA4H P09960 1/20 0.33
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ ADH1C P00326 1/20 0.31
▸ ADH1A P07327 1/20 0.31

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
SCHEMBL13683429 0.98 CYP1A2 (0.33) CYP1A2CYP2D6CYP2C19CYP2C9TSHR
SCHEMBL9281036 0.96 SLC6A2 (0.33) CYP1A2CYP2D6CYP2C19CYP2C9TSHR
SCHEMBL9284842 0.90 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL8768114 0.85 CYP2D6 (0.39) CYP1A2CYP2D6CYP2C19CYP2C9TSHR
SCHEMBL12449085 0.80 LTA4H (0.38) CYP1A2CYP2D6CYP2C19CYP2C9TSHR
SCHEMBL24926212 0.80 — —
SCHEMBL9281135 0.79 ADH1A (0.41) CYP1A2CYP2D6CYP2C19CYP2C9TSHR
SCHEMBL24080142 0.78 LTA4H (0.36) CYP2D6CYP2C9TSHRHSD17B10LTA4H
SCHEMBL9284267 0.77 ADH1A (0.38) CYP1A2CYP2D6CYP2C19CYP2C9TSHR
SCHEMBL13082953 0.77 ADH1A (0.42) CYP1A2TSHRLTA4HSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. 2023-02-02 — — US disclosed
US-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 — — US disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 — — US disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 — — US disclosed
US-9315451-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-04-19 — — US disclosed
US-20120135968-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-31 — — 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 (4 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-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A CYP1A2 844/4885CYP2D6 565/4885CYP2C19 287/4885
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT MCL1, ABL1, MALT1 CYP1A2 3991/4885CYP2D6 3911/4885CYP2C19 3708/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A CYP1A2 844/4885CYP2D6 565/4885CYP2C19 287/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A CYP1A2 844/4885CYP2D6 565/4885CYP2C19 287/4885

“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.

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