SCHEMBL3979406

SCHEMBL3979406

CCCCOC(=O)[C@]1(C)CN(CCc2ccccc2)C(=O)C1[C@@H](O)C[Si](C)(C)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 3/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SIGMAR1 Q99720 5/20 0.35
OPRM1 P35372 4/20 0.35
KCNH2 Q12809 4/20 0.35
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSK P43235 1/20 0.33
GAA P10253 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
SCHEMBL740949 0.87 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2POLBCYP3A4CYP2C19
SCHEMBL2762012 0.85 SIGMAR1 (0.41) L3MBTL1SMN1; SMN2POLBSIGMAR1OPRM1
SCHEMBL3975998 0.77 POLB (0.40) L3MBTL1SMN1; SMN2POLBCYP3A4TSHR
SCHEMBL3976127 0.73 POLB (0.38) L3MBTL1SMN1; SMN2POLBCYP3A4TSHR
SCHEMBL3979671 0.69 OPRM1 (0.40) L3MBTL1POLBCYP3A4TSHRCYP2D6
SCHEMBL2762013 0.69 SIGMAR1 (0.39) L3MBTL1SMN1; SMN2POLBSIGMAR1OPRM1
SCHEMBL741073 0.64 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2POLBSIGMAR1OPRM1
SCHEMBL741114 0.62 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2POLBSIGMAR1OPRM1
SCHEMBL2762344 0.61 SIGMAR1 (0.43) L3MBTL1SMN1; SMN2SIGMAR1OPRM1KCNH2
SCHEMBL2762030 0.61 SIGMAR1 (0.42) L3MBTL1SMN1; SMN2POLBSIGMAR1OPRM1

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 L3MBTL1 214/4885SMN1; SMN2 4631/4885POLB 1963/4885

“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.