SCHEMBL24326577

SCHEMBL24326577

CC(C)(N)C(=O)OC1CCC2(CCCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
CHRM3 P20309 9/20 0.33
CYP2C19 P33261 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
SCHEMBL21103611 0.81 CYP19A1 (0.44) CYP19A1CHRM3CYP2C19
SCHEMBL3345151 0.81 CYP19A1 (0.47) CYP19A1CHRM3CYP2C19
Hydrochloric Acid SCHEMBL18954396 0.80 CYP19A1 (0.42) CYP19A1CHRM3CYP2C19
Hydrochloric Acid SCHEMBL185528 0.80 CYP19A1 (0.46) CYP19A1CHRM3CYP2C19
SCHEMBL4673661 0.80 CYP19A1 (0.50) CYP19A1CHRM3CYP2C19
SCHEMBL26357659 0.79 CYP19A1 (0.35) CYP19A1CHRM3CYP2C19
Hydrochloric Acid SCHEMBL18954563 0.78 CYP19A1 (0.49) CYP19A1CHRM3CYP2C19
SCHEMBL5670027 0.76 CYP2C19 (0.33) CHRM3CYP2C19
SCHEMBL21796112 0.74 CYP19A1 (0.35) CYP19A1CHRM3
SCHEMBL21305857 0.73 KAT2B (0.36) CYP19A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303599-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2023-09-28 US disclosed
US-20230303599-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2023-09-28 US disclosed
US-20220119426-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2022-04-21 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-20220119426-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE PNP, TYMP, NME2 CYP19A1 2100/4885CHRM3 3877/4885CYP2C19 660/4885
US-20230303599-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE PNP, TYMP, NME2 CYP19A1 2100/4885CHRM3 3877/4885CYP2C19 660/4885

“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.