SCHEMBL3979106

SCHEMBL3979106

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.36
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
HIF1A Q16665 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM1 P11229 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
SCHEMBL3983521 1.00 RORC (0.36) RORCCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3977469 1.00 RORC (0.36) RORCCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3978561 0.87 RORC (0.38) RORCCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3975095 0.75 CYP2D6 (0.34) RORCCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3976956 0.75 CYP2D6 (0.34) RORCCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4187339 0.73 SMN1; SMN2 (0.50) RORCCYP2C19MEN1KMT2A
SCHEMBL4187343 0.73 SMN1; SMN2 (0.50) RORCCYP2C19MEN1KMT2A
SCHEMBL4169595 0.73 SMN1; SMN2 (0.50) RORCCYP2C19MEN1KMT2A
SCHEMBL3975405 0.73 GRIN2B (0.44) RORCCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4180033 0.73 SMN1; SMN2 (0.50) RORCCYP2C19MEN1KMT2A

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 230/4885CYP3A4 871/4885CYP2D6 895/4885

“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.