SCHEMBL9289339

SCHEMBL9289339

CCCN(CC1CC1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADH1A P07327 3/20 0.46
▸ ADH1C P00326 2/20 0.42
▸ HTR1D P28221 2/20 0.39
▸ HTR1B P28222 1/20 0.37
▸ DRD3 P35462 5/20 0.36
▸ DRD2 P14416 4/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ HTR1A P08908 2/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PKM P14618 1/20 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
SCHEMBL9290239 0.96 ADH1A (0.41) ADH1AADH1CHTR1DHTR1BDRD3
SCHEMBL22541111 0.84 ADH1A (0.54) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL516269 0.84 ADH1A (0.54) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL11073680 0.84 ADH1A (0.54) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL13082953 0.83 ADH1A (0.42) ADH1AADH1CCYP1A2LTA4HALDH1A1
Hydrochloric Acid SCHEMBL27846052 0.82 CYP1A2 (0.45) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL12449085 0.82 LTA4H (0.38) ADH1AADH1CCYP1A2LTA4H
SCHEMBL516016 0.82 ADH1A (0.52) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL8916450 0.80 ADH1A (0.50) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL15865807 0.79 DRD3 (0.48) ADH1AADH1CDRD3DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 — — 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-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A ADH1A 3385/4885ADH1C 4184/4885HTR1D 3496/4885

“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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