SCHEMBL26942017

SCHEMBL26942017

CN(C)c1cccc2c(CC[C@H](O)C(=O)O)c[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
MPO P05164 3/20 0.41
HTR6 P50406 2/20 0.40
SLC6A4 P31645 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HTR2A P28223 2/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
MAOA P21397 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2C P28335 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38

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
SCHEMBL24328930 0.87 SMN1; SMN2 (0.57) SMN1; SMN2HTTMPOMAPTADRB1
SCHEMBL26941996 0.80 SMN1; SMN2 (0.45) SMN1; SMN2HTR6SLC6A4MTNR1AMTNR1B
SCHEMBL24328906 0.78 HTR6 (0.42) SMN1; SMN2HTTMPOHTR6MTNR1A
SCHEMBL28417401 0.69 SMN1; SMN2 (0.61) SMN1; SMN2HTTMPOHTR2AMAPT
SCHEMBL24328921 0.69 SMN1; SMN2 (0.61) SMN1; SMN2HTTMPOHTR2AMAPT
SCHEMBL24328929 0.69 SMN1; SMN2 (0.57) SMN1; SMN2MPOHTR6HTR2AHTR1A
SCHEMBL28417399 0.68 MTNR1A (0.58) SMN1; SMN2HTTHTR6MTNR1AMTNR1B
SCHEMBL24328928 0.68 MTNR1A (0.58) SMN1; SMN2HTTHTR6MTNR1AMTNR1B
SCHEMBL31177153 0.67 PTGS2 (0.69) MTNR1AMTNR1BCDK4CCND1
SCHEMBL24301152 0.67 SMN1; SMN2 (0.61) SMN1; SMN2MPOSLC6A4

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-20230399297-A1 Novel Glutamine Analogs JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-12-14 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-20230399297-A1 Novel Glutamine Analogs GLUL, GATD3, GLS SMN1; SMN2 3812/4885HTT 362/4885MPO 3942/4885

“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.