SCHEMBL26554489

SCHEMBL26554489

CC[C@H]1O[C@@H](c2ccccc2)[C@H](F)[C@@H]1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.36
▸ CHRM2 P08172 5/20 0.32
▸ CHRM4 P08173 5/20 0.32
▸ CHRM5 P08912 5/20 0.32
▸ CHRM1 P11229 5/20 0.32
▸ CHRM3 P20309 5/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ EPHX1 P07099 4/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL14179767 0.81 TSHR (0.38) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL26554486 0.81 OGA (0.38) TSHREPHX1
SCHEMBL7951294 0.78 TSHR (0.43) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL50998 0.78 TSHR (0.43) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL15298424 0.77 SLC5A2 (0.44) TSHR
SCHEMBL26554087 0.76 TSHR (0.40) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL25605622 0.74 SLC6A4 (0.40) SLC6A2HTR2BSLC6A3EPHX1HTR1A
SCHEMBL16572175 0.70 PDPK1 (0.37) TSHRSLC6A2HTR1A
Formic Acid SCHEMBL28886146 0.69 TSHR (0.47) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL464421 0.69 MEN1 (0.39) TSHRMEN1KMT2ASMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365970-A1 Modified Short Interfering Nucleic Acid (siNA) Molecules and Uses Thereof ALIGOS THERAPEUTICS, INC. (US) 2023-11-16 — — US disclosed
US-20230332153-A1 Modified Short Interfering Nucleic Acid (siNA) Molecules and Uses Thereof ALIGOS THERAPEUTICS, INC. (US) 2023-10-19 — — 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-20230365970-A1 Modified Short Interfering Nucleic Acid (siNA) Molecules and Uses Thereof NSUN2, SNRPA, SNRPF TSHR 2910/4885CHRM2 4723/4885CHRM4 4440/4885
US-20230332153-A1 Modified Short Interfering Nucleic Acid (siNA) Molecules and Uses Thereof NSUN2, SNRPA, SNRPF TSHR 2910/4885CHRM2 4723/4885CHRM4 4440/4885

“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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