SCHEMBL30288296

SCHEMBL30288296

O=C(O)C1C[C@@](O)(C(F)(F)F)CN1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
ALOX15 P16050 3/20 0.47
GRM2 Q14416 1/20 0.47
GRM3 Q14832 1/20 0.47
CYP2D6 P10635 3/20 0.33
LMNA P02545 2/20 0.33
BLM P54132 2/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
EGLN1 Q9GZT9 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
SCHEMBL19064688 1.00 CYP1A2 (0.47) CYP1A2ALOX15GRM2GRM3CYP2D6
SCHEMBL17423089 1.00 CYP1A2 (0.47) CYP1A2ALOX15GRM2GRM3CYP2D6
Hydrochloric Acid SCHEMBL19064832 0.98 CYP1A2 (0.46) CYP1A2ALOX15GRM2GRM3CYP2D6
SCHEMBL9132272 0.81 CYP1A2 (0.47) CYP1A2ALOX15GRM2GRM3CYP2D6
SCHEMBL10993356 0.81 CYP1A2 (0.47) CYP1A2ALOX15GRM2GRM3CYP2D6
Hydrochloric Acid SCHEMBL25335642 0.80 CYP1A2 (0.36) CYP1A2ALOX15GRM2GRM3CYP2D6
Hydrochloric Acid SCHEMBL30484614 0.80 CYP1A2 (0.36) CYP1A2ALOX15GRM2GRM3CYP2D6
SCHEMBL3550569 0.79 BACE1 (0.41) KMT2A
SCHEMBL3550573 0.79 BACE1 (0.41) KMT2A
Hydrochloric Acid SCHEMBL29035273 0.78 BACE1 (0.40) KMT2A

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-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2023-02-23 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-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, MPST, CRAT CYP1A2 634/4885ALOX15 1222/4885GRM2 4881/4885

“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.