SCHEMBL3973696

SCHEMBL3973696

CCC(F)[C@H]1CN([C@H](C)c2ccccc2)C(=O)[C@@]1(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
MAPK1 P28482 2/20 0.37
KCNA5 P22460 1/20 0.37
HSD11B1 P28845 2/20 0.37
METAP2 P50579 2/20 0.36
NR3C2 P08235 2/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 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
SCHEMBL3978315 1.00 KMT2A (0.44) KMT2AMAPK1KCNA5HSD11B1METAP2
SCHEMBL3978062 0.83 KMT2A (0.46) KMT2AMAPK1KCNA5HSD11B1METAP2
SCHEMBL3981420 0.83 KMT2A (0.46) KMT2AMAPK1KCNA5HSD11B1METAP2
SCHEMBL4169655 0.83 KMT2A (0.46) KMT2AMAPK1KCNA5HSD11B1METAP2
SCHEMBL3973692 0.75 KMT2A (0.41) KMT2AHSD11B1METAP2CYP1A2CYP3A4
SCHEMBL3978314 0.75 KMT2A (0.41) KMT2AHSD11B1METAP2CYP1A2CYP3A4
SCHEMBL3979278 0.75 KMT2A (0.41) KMT2AHSD11B1METAP2CYP1A2CYP3A4
SCHEMBL3977637 0.75 KMT2A (0.48) KMT2AMAPK1HSD11B1METAP2TSHR
SCHEMBL3977640 0.71 KMT2A (0.44) KMT2AMAPK1KCNA5HSD11B1METAP2
SCHEMBL12167710 0.70 KMT2A (0.42) KMT2AMAPK1KCNA5HSD11B1METAP2

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 2638/4885MAPK1 2465/4885KCNA5 1689/4885

“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.