SCHEMBL3976041

SCHEMBL3976041

CCCCC[C@@]1(C(=O)O)CC(=O)N([C@H](C)c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
PKM P14618 1/20 0.37
CETP P11597 3/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ASAH1 Q13510 1/20 0.35
ACER2 Q5QJU3 1/20 0.35
MAPK1 P28482 1/20 0.35
NAAA Q02083 2/20 0.34
POLB P06746 1/20 0.34
TACR1 P25103 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL3982824 1.00 KMT2A (0.41) KMT2AOPRM1OPRD1OPRK1OPRL1
SCHEMBL14343034 0.89 KMT2A (0.42) KMT2AMAPTHSD11B1
SCHEMBL4190356 0.84 KMT2A (0.46) KMT2AOPRM1OPRD1OPRK1OPRL1
SCHEMBL4750274 0.82 KMT2A (0.40) KMT2AOPRM1OPRD1OPRK1OPRL1
SCHEMBL741948 0.81 KMT2A (0.43) KMT2AOPRM1OPRD1OPRK1OPRL1
SCHEMBL739249 0.81 KMT2A (0.43) KMT2AOPRM1OPRD1OPRK1OPRL1
SCHEMBL2670667 0.80 KMT2A (0.35) KMT2AMAPTALDH1A1MAPK1HSD11B1
SCHEMBL4748878 0.77 KMT2A (0.41) KMT2AMAPTMAPK1HSD11B1
SCHEMBL2670426 0.76 CYP4F2 (0.40) KMT2AHSD11B1
SCHEMBL4748042 0.75 KMT2A (0.39) KMT2AMAPTMAPK1POLBHSD11B1

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 2638/4885OPRM1 606/4885OPRD1 54/4885

“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.