SCHEMBL25146258

SCHEMBL25146258

CCC(C(=O)O)[C@@H](N)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.43
SLC1A2 P43004 3/20 0.43
SLC1A1 P43005 3/20 0.43
TDP1 Q9NUW8 2/20 0.40
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
GRIK1 P39086 6/20 0.38
GRIK2 Q13002 6/20 0.38
SLC7A5 Q01650 2/20 0.37
GLO1 Q04760 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL1694215 1.00 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL5324078 0.85 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL136413 0.83 CHRM1 (0.46) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL9678433 0.83 CHRM1 (0.52) SLC1A3SLC1A2SLC1A1TDP1CHRM1
Hydrochloric Acid SCHEMBL19371377 0.81 CHRM1 (0.50) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL11143927 0.81 SLC7A5 (0.52) SLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL11771843 0.81 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL28051218 0.81
SCHEMBL13761133 0.80 TDP1 (0.50) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL1604267 0.80 TDP1 (0.50) SLC1A3SLC1A2SLC1A1TDP1CHRM1

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-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-04-20 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-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF PPID, PPIF, PPIL1 SLC1A3 3251/4885SLC1A2 3284/4885SLC1A1 3088/4885

“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.