SCHEMBL3976044

SCHEMBL3976044

CCCCC1N([C@H](C)c2ccccc2)C(=O)C[C@@]1(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.36
DPP4 P27487 1/20 0.36
KCNA5 P22460 1/20 0.35
POLB P06746 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
GRM2 Q14416 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
SCHEMBL3982820 1.00 KMT2A (0.39) KMT2ACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL741947 0.77 KMT2A (0.41) KMT2ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL739248 0.77 KMT2A (0.41) KMT2ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL3976001 0.74 CYP3A4 (0.34) KMT2ACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL3976130 0.70 CTSK (0.37) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3975085 0.67 KMT2A (0.44) KMT2ACYP2C19MAPTGRM2
SCHEMBL3975082 0.67 KMT2A (0.44) KMT2ACYP2C19MAPTGRM2
SCHEMBL13764766 0.67 KMT2A (0.44) KMT2ACYP2C19MAPTGRM2
SCHEMBL4179796 0.67 KMT2A (0.44) KMT2ACYP2C19MAPTGRM2
SCHEMBL3976041 0.67 KMT2A (0.41) KMT2AMAPTPOLBOPRM1OPRD1

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 2638/4885CYP1A2 1680/4885CYP3A4 871/4885

“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.