SCHEMBL10306178

SCHEMBL10306178

C[C@H](c1ccccc1)N1C[C@@H](CF)C(C)(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
HSD11B1 P28845 2/20 0.41
METAP2 P50579 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CYP2D6 P10635 1/20 0.37
KCNA5 P22460 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL10306181 1.00 KMT2A (0.44) KMT2AHSD11B1METAP2ALDH1A1HPGD
SCHEMBL12167676 0.86 KMT2A (0.42) KMT2AHSD11B1METAP2ALDH1A1HPGD
SCHEMBL12167710 0.86 KMT2A (0.42) KMT2AHSD11B1METAP2ALDH1A1HPGD
SCHEMBL12436350 0.86 KMT2A (0.47) KMT2AHSD11B1METAP2ALDH1A1HPGD
SCHEMBL3981420 0.84 KMT2A (0.46) KMT2AHSD11B1METAP2ALDH1A1KCNA5
SCHEMBL3978062 0.84 KMT2A (0.46) KMT2AHSD11B1METAP2ALDH1A1KCNA5
SCHEMBL4169655 0.84 KMT2A (0.46) KMT2AHSD11B1METAP2ALDH1A1KCNA5
SCHEMBL12167715 0.82 KMT2A (0.39) KMT2AHSD11B1METAP2ALDH1A1HPGD
SCHEMBL12167681 0.82 KMT2A (0.39) KMT2AHSD11B1METAP2ALDH1A1HPGD
SCHEMBL3977640 0.80 KMT2A (0.44) KMT2AHSD11B1METAP2KCNA5MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 US disclosed
US-8211910-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 KMT2A 3317/4885HSD11B1 4381/4885METAP2 1462/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 KMT2A 3178/4885HSD11B1 4462/4885METAP2 1966/4885

“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.