SCHEMBL3979675

SCHEMBL3979675

CCCCC[C@@]1(C(=O)O)CN([C@H](C)c2ccccc2)C(=O)C12CC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.40
OPRD1 P41143 4/20 0.40
OPRK1 P41145 4/20 0.40
OPRL1 P41146 4/20 0.40
KMT2A Q03164 1/20 0.38
HSD11B1 P28845 3/20 0.35
METAP2 P50579 2/20 0.35
ALDH1A1 P00352 1/20 0.34
ASAH1 Q13510 1/20 0.34
ACER2 Q5QJU3 1/20 0.34
PKM P14618 2/20 0.34
NAAA Q02083 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
IDH1 O75874 1/20 0.33
CETP P11597 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL740807 0.81 KMT2A (0.39) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL740951 0.75 KMT2A (0.44) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL3982824 0.74 KMT2A (0.41) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL3976041 0.74 KMT2A (0.41) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL15099815 0.70 HSD11B1 (0.42) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL739714 0.70 HSD11B1 (0.42) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL769095 0.68 HSD11B1 (0.43) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL762151 0.67 KMT2A (0.41) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL14671520 0.65 KMT2A (0.41) OPRM1OPRD1OPRK1OPRL1KMT2A
SCHEMBL3973699 0.65 KMT2A (0.39) OPRL1KMT2AHSD11B1METAP2ALDH1A1

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 OPRM1 606/4885OPRD1 54/4885OPRK1 221/4885

“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.