SCHEMBL3973699

SCHEMBL3973699

CC[C@]1(CF)CN([C@H](C)c2ccccc2)C(=O)[C@@]1(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
METAP2 P50579 2/20 0.36
HSD11B1 P28845 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 3/20 0.34
ALDH1A1 P00352 2/20 0.33
NR3C2 P08235 3/20 0.33
POLB P06746 1/20 0.33
OPRL1 P41146 1/20 0.32
CYP2D6 P10635 1/20 0.32
P2RX7 Q99572 1/20 0.32
CHRM1 P11229 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 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
SCHEMBL3978320 1.00 KMT2A (0.39) KMT2AMETAP2HSD11B1MAPTMAPK1
SCHEMBL4748532 0.70 HSD11B1 (0.39) KMT2AMETAP2HSD11B1MAPK1OPRL1
SCHEMBL740951 0.69 KMT2A (0.44) KMT2AMETAP2HSD11B1MAPTMAPK1
SCHEMBL3977640 0.69 KMT2A (0.44) KMT2AMETAP2HSD11B1MAPTMAPK1
SCHEMBL3976212 0.68 KMT2A (0.43) KMT2AMETAP2HSD11B1MAPTMAPK1
SCHEMBL4169655 0.68 KMT2A (0.46) KMT2AMETAP2HSD11B1MAPTMAPK1
SCHEMBL3978062 0.68 KMT2A (0.46) KMT2AMETAP2HSD11B1MAPTMAPK1
SCHEMBL3981420 0.68 KMT2A (0.46) KMT2AMETAP2HSD11B1MAPTMAPK1
SCHEMBL12167676 0.68 KMT2A (0.42) KMT2AMETAP2HSD11B1MAPK1ALDH1A1
SCHEMBL12167710 0.68 KMT2A (0.42) KMT2AMETAP2HSD11B1MAPK1ALDH1A1

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 2638/4885METAP2 4222/4885HSD11B1 2640/4885

“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.