SCHEMBL24326015

SCHEMBL24326015

CC(C)(NCl)C(=O)O[C@H]1C[C@@H](c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.39
CHRM2 P08172 8/20 0.39
CHRM1 P11229 8/20 0.39
CHRM4 P08173 7/20 0.39
CHRM5 P08912 7/20 0.39
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
HCRTR2 O43614 2/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL24326017 0.81 CHRM3 (0.41) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL28669857 0.72 AKR1C3 (0.44) AKR1C3AKR1C1GRIN2B
SCHEMBL23870966 0.71 CHRNA7 (0.45) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL24325941 0.71 CYP19A1 (0.31)
SCHEMBL30457857 0.71 LMNA (0.44) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL26358045 0.71 CHRM3 (0.43) CHRM3AKR1C3AKR1C1
SCHEMBL1623586 0.70 CHRNA7 (0.61) MEN1KMT2A
SCHEMBL1623587 0.70 CHRNA7 (0.61) MEN1KMT2A
SCHEMBL26358036 0.70 RIPK1 (0.45) CHRM3AKR1C3AKR1C1
SCHEMBL25223711 0.69 KDM1A (0.43) CHRM3HCRTR2KMT2A

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 CHRM3 3877/4885CHRM2 4445/4885CHRM1 4247/4885
US-20230303599-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE PNP, TYMP, NME2 CHRM3 3877/4885CHRM2 4445/4885CHRM1 4247/4885

“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.