SCHEMBL14578643

SCHEMBL14578643

N[C@@H]1CCCc2occc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
TBXAS1 P24557 1/20 0.42
GID4 Q8IVV7 1/20 0.39
CCR6 P51684 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ACHE P22303 1/20 0.31
CXCR2 P25025 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL1265184 1.00 CYP19A1 (0.42) CYP19A1TBXAS1GID4CCR6CYP11B1
SCHEMBL14578642 1.00 CYP19A1 (0.42) CYP19A1TBXAS1GID4CCR6CYP11B1
SCHEMBL16363077 0.76 CYP19A1 (0.42) CYP19A1TBXAS1GID4CCR6CYP11B1
SCHEMBL13845052 0.76 CYP19A1 (0.42) CYP19A1TBXAS1GID4CCR6CXCR2
SCHEMBL12900509 0.76 CYP19A1 (0.42) CYP19A1TBXAS1GID4CCR6CXCR2
SCHEMBL16363090 0.76 CYP19A1 (0.42) CYP19A1TBXAS1GID4CCR6CYP11B1
SCHEMBL4234627 0.76 CYP19A1 (0.42) CYP19A1TBXAS1GID4CCR6CXCR2
SCHEMBL7508090 0.76 CYP19A1 (0.42) CYP19A1TBXAS1GID4CCR6CYP11B1
SCHEMBL20721207 0.69 CCR6 (0.40) CYP19A1TBXAS1GID4CCR6
SCHEMBL6101683 0.69 GID4 (0.37) CYP19A1TBXAS1GID4POLBHSD17B10

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-7179918-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-7179918-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 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-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, PEPD, PREP CYP19A1 671/4885TBXAS1 1299/4885GID4 2174/4885

“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.