SCHEMBL24326017

SCHEMBL24326017

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 15/20 0.41
CHRM2 P08172 9/20 0.41
CHRM1 P11229 9/20 0.41
CHRM4 P08173 7/20 0.41
CHRM5 P08912 7/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
HRH1 P35367 2/20 0.37
KCNH2 Q12809 2/20 0.37
OPRK1 P41145 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 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
Hydrochloric Acid SCHEMBL25263136 0.85 CHRM3 (0.42) CHRM3AKR1C3AKR1C1
Hydrochloric Acid SCHEMBL29006957 0.85 CHRM3 (0.42) CHRM3AKR1C3AKR1C1
SCHEMBL24326015 0.81 CHRM3 (0.39) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL28669857 0.78 AKR1C3 (0.44) AKR1C3AKR1C1HTR3EHTR3BCHRNA7
SCHEMBL1151719 0.76 IDO1 (0.46) CHRM3
SCHEMBL23870966 0.75 CHRNA7 (0.45) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL30457857 0.74 LMNA (0.44) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1623586 0.73 CHRNA7 (0.61) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL1623587 0.73 CHRNA7 (0.61) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL26358036 0.73 RIPK1 (0.45) CHRM3AKR1C3AKR1C1

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-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 (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-20220119426-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.