SCHEMBL3977173

SCHEMBL3977173

C[C@H](c1ccccc1)N1CC(O)[C@@](C)(C(=O)O)C1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.39
CHRM4 P08173 3/20 0.39
CHRM5 P08912 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 1/20 0.34
HSD11B1 P28845 1/20 0.34
CCR5 P51681 1/20 0.34
MAPT P10636 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 1/20 0.33
MAPK1 P28482 1/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 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
SCHEMBL3982698 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3974320 0.87 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3977729 0.74 KMT2A (0.36) KMT2AALDH1A1CYP2D6HSD11B1MAPT
SCHEMBL3976510 0.71 KMT2A (0.35) KMT2AALDH1A1CYP2D6HSD11B1MAPT
SCHEMBL741947 0.69 KMT2A (0.41) KMT2AALDH1A1CYP2D6HSD11B1MAPT
SCHEMBL739248 0.69 KMT2A (0.41) KMT2AALDH1A1CYP2D6HSD11B1MAPT
SCHEMBL4187954 0.68 CYP2D6 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4182073 0.68 CYP2D6 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL741450 0.68 KCNA5 (0.34) KMT2AALDH1A1HSD11B1MAPTHPGD
SCHEMBL3975900 0.67 KMT2A (0.39) KMT2AALDH1A1CYP2D6HSD11B1MAPT

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 CHRM2 2084/4885CHRM4 2641/4885CHRM5 2454/4885

“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.