SCHEMBL115134

SCHEMBL115134

C[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1CO

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HTR2C P28335 1/20 0.51
CYP2C19 P33261 1/20 0.50
PREP P48147 1/20 0.48

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
SCHEMBL17009197 0.92 PREP (0.55) SMN1; SMN2NPC1RAB9APREP
SCHEMBL16282507 0.92 PREP (0.55) SMN1; SMN2NPC1RAB9APREP
SCHEMBL15185034 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19PREP
SCHEMBL9545617 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19PREP
SCHEMBL27838457 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19PREP
SCHEMBL16329051 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL821085 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL818418 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL30963525 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL29302842 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19

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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 SMN1; SMN2 3896/4885NPC1 2857/4885RAB9A 190/4885

“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.