SCHEMBL3978561

SCHEMBL3978561

CC(C)(C)C(OC(=O)N1CC(F)[C@](C)(C(=O)O)C1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 16/20 0.38
ABHD6 Q9BV23 1/20 0.33
MGLL Q99685 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR1I2 O75469 1/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL3983521 0.87 RORC (0.36) RORCABHD6CYP3A4CYP2D6CYP2C9
SCHEMBL3977469 0.87 RORC (0.36) RORCABHD6CYP3A4CYP2D6CYP2C9
SCHEMBL3979106 0.87 RORC (0.36) RORCABHD6CYP3A4CYP2D6CYP2C9
SCHEMBL5067804 0.84 RORC (0.37) RORCABHD6MGLLCYP3A4CYP2D6
SCHEMBL3975095 0.74 CYP2D6 (0.34) RORCABHD6MGLLCYP3A4CYP2D6
SCHEMBL3976956 0.74 CYP2D6 (0.34) RORCABHD6MGLLCYP3A4CYP2D6
SCHEMBL3976891 0.74 RORC (0.50) RORCCYP2D6CYP2C9CYP2C19
SCHEMBL3975405 0.72 GRIN2B (0.44) RORCABHD6CYP3A4CYP2D6CYP2C9
SCHEMBL4188990 0.70 CYP2D6 (0.44) CYP3A4CYP2D6
SCHEMBL3975897 0.69 GRIN2B (0.43) RORCCYP3A4CYP2D6

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 RORC 230/4885ABHD6 4115/4885MGLL 4219/4885

“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.