SCHEMBL3973692

SCHEMBL3973692

CCOC(=O)[C@]1(C)C(=O)N([C@H](C)c2ccccc2)C[C@@H]1CF

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
KCNA3 P22001 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
ABCB11 O95342 1/20 0.38
GABRA2 P47869 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD11B1 P28845 2/20 0.37
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 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
SCHEMBL3978314 1.00 KMT2A (0.41) KMT2AGAAKCNA3KDM4ECYP3A4
SCHEMBL3979278 1.00 KMT2A (0.41) KMT2AGAAKCNA3KDM4ECYP3A4
SCHEMBL3981420 0.86 KMT2A (0.46) KMT2AALDH1A1HSD11B1OPRM1OPRD1
SCHEMBL3978062 0.86 KMT2A (0.46) KMT2AALDH1A1HSD11B1OPRM1OPRD1
SCHEMBL4169655 0.86 KMT2A (0.46) KMT2AALDH1A1HSD11B1OPRM1OPRD1
SCHEMBL12188291 0.79 KMT2A (0.37) KMT2ACYP3A4CYP1A2ALDH1A1HSD11B1
SCHEMBL12167710 0.79 KMT2A (0.42) KMT2AALDH1A1HSD11B1HPGDMETAP2
SCHEMBL12167676 0.79 KMT2A (0.42) KMT2AALDH1A1HSD11B1HPGDMETAP2
SCHEMBL10306181 0.79 KMT2A (0.44) KMT2AALDH1A1HSD11B1HPGDMETAP2
SCHEMBL10306178 0.79 KMT2A (0.44) KMT2AALDH1A1HSD11B1HPGDMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 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
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 (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-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L KMT2A 2638/4885GAA 3745/4885KCNA3 1796/4885
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 KMT2A 3317/4885GAA 487/4885KCNA3 2590/4885

“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.