SCHEMBL9281036

SCHEMBL9281036

CC(C)(C)CN(CC1CC1)C1CCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ HSD11B1 P28845 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
SCHEMBL13683429 0.98 CYP1A2 (0.33) SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6
SCHEMBL9283447 0.96 CYP1A2 (0.35) SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6
SCHEMBL9284842 0.93 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL24926212 0.83 — —
SCHEMBL8768114 0.79 CYP2D6 (0.39) SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6
SCHEMBL9278394 0.77 ADH1C (0.34) SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6
SCHEMBL9283784 0.76 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL24080142 0.76 LTA4H (0.36) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C9
SCHEMBL24927577 0.76 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6
SCHEMBL9284267 0.76 ADH1A (0.38) SLC6A2SLC6A4SLC6A3CYP1A2CYP2D6

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-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 (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-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A SLC6A2 1782/4885SLC6A4 1287/4885SLC6A3 1994/4885
US-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A SLC6A2 1782/4885SLC6A4 1287/4885SLC6A3 1994/4885

“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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