SCHEMBL3976039

SCHEMBL3976039

CCCCOC(=O)[C@]1(C)CC(=O)N([C@H](C)c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
ELANE P08246 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL10306170 1.00 KMT2A (0.39) KMT2ASMN1; SMN2LMNANPC1RAB9A
SCHEMBL3974883 0.82 KMT2A (0.45) KMT2ASMN1; SMN2LMNATSHRTDP1
SCHEMBL2241415 0.79 KMT2A (0.49) KMT2ATDP1ALDH1A1MAPTHPGD
SCHEMBL2761882 0.79 KMT2A (0.49) KMT2ATDP1ALDH1A1MAPTHPGD
SCHEMBL761858 0.79 KMT2A (0.45) KMT2AMAPTCYP3A4MAPK1
SCHEMBL13764774 0.79 KMT2A (0.45) KMT2AMAPTCYP3A4MAPK1
SCHEMBL2242605 0.79 KMT2A (0.45) KMT2AMAPTCYP3A4MAPK1
SCHEMBL24629570 0.79 CA1 (0.44) KMT2ASMN1; SMN2LMNATSHRALDH1A1
SCHEMBL8882378 0.75 KMT2A (0.43) KMT2ALMNATSHRMAPTGAA
SCHEMBL8882078 0.75 KMT2A (0.43) KMT2ALMNATSHRMAPTGAA

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 KMT2A 2638/4885SMN1; SMN2 4631/4885LMNA 4249/4885

“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.