SCHEMBL3975405

SCHEMBL3975405

CC(OC(=O)N1C[C@@H](C)[C@@](C)(C(=O)O)C1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.44
HCAR2 Q8TDS4 1/20 0.40
ACACB O00763 2/20 0.39
RORC P51449 2/20 0.39
S1PR5 Q9H228 2/20 0.36
S1PR1 P21453 1/20 0.36
CYP2D6 P10635 4/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.35
NR1I2 O75469 1/20 0.35
ABCB11 O95342 1/20 0.35
ABHD6 Q9BV23 1/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR3 Q9UBY5 1/20 0.34
OPRK1 P41145 1/20 0.33

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
SCHEMBL3976532 0.85 ALDH1A1 (0.38) GRIN2BRORCCYP2D6CYP3A4CYP2C9
SCHEMBL3975897 0.85 GRIN2B (0.43) GRIN2BHCAR2ACACBRORCS1PR5
SCHEMBL4174274 0.77 SMN1; SMN2 (0.50) GRIN2BRORCCYP2D6CYP2C9CYP2C19
SCHEMBL4174279 0.77 SMN1; SMN2 (0.50) GRIN2BRORCCYP2D6CYP2C9CYP2C19
SCHEMBL4181131 0.77 SMN1; SMN2 (0.50) GRIN2BRORCCYP2D6CYP2C9CYP2C19
SCHEMBL5067804 0.77 RORC (0.37) GRIN2BRORCCYP2D6CYP3A4CYP2C9
SCHEMBL3976441 0.76 CYP2D6 (0.45) CYP2D6OPRK1
SCHEMBL3977469 0.73 RORC (0.36) RORCCYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL3983521 0.73 RORC (0.36) RORCCYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL3979106 0.73 RORC (0.36) RORCCYP2D6CYP3A4CYP2C9CYP2C19

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-7563805-B2 7-[3-Amino-3,4-dimethylpyrrolidine-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-8-methyl-4-oxoquinoline-3-carboxylic acid: quinoline bactericide; broad spectrum, strong antibacterial activity for Grampositive/-negative including multiple resistant cocci; side effect reductcion; drug design DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-07-21 US disclosed
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-23 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-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L GRIN2B 2376/4885HCAR2 2207/4885ACACB 4869/4885

“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.