SCHEMBL741948

SCHEMBL741948

C[C@H](c1ccccc1)N1C[C@](CC(C)(C)C)(C(=O)O)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.40
HSD11B1 P28845 11/20 0.37
CYP3A4 P08684 5/20 0.37
CYP2C9 P11712 5/20 0.37
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 2/20 0.35
P2RX7 Q99572 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CYP2D6 P10635 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
SCHEMBL739249 1.00 KMT2A (0.43) KMT2AMAPTHSD11B1CYP3A4CYP2C9
SCHEMBL4190356 0.86 KMT2A (0.46) KMT2AMAPTHSD11B1MAPK1P2RX7
SCHEMBL14343034 0.81 KMT2A (0.42) KMT2AMAPTHSD11B1CYP3A4CYP2C9
SCHEMBL4181568 0.81 KMT2A (0.38) KMT2AMAPTHSD11B1CYP3A4CYP2C9
SCHEMBL3976041 0.81 KMT2A (0.41) KMT2AMAPTHSD11B1MAPK1OPRM1
SCHEMBL3982824 0.81 KMT2A (0.41) KMT2AMAPTHSD11B1MAPK1OPRM1
SCHEMBL2670528 0.79 KMT2A (0.43) KMT2AMAPTHSD11B1CYP3A4CYP2C9
SCHEMBL14319760 0.79 KMT2A (0.43) KMT2AMAPTHSD11B1CYP3A4CYP2C9
SCHEMBL2670667 0.78 KMT2A (0.35) KMT2AMAPTHSD11B1CYP3A4CYP2C9
SCHEMBL4748878 0.77 KMT2A (0.41) KMT2AMAPTHSD11B1CYP3A4CYP2C9

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-8138352-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-20 US disclosed
US-8003666-B2 Hydrate for medical purposes DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-06-16 US disclosed
US-7928232-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-19 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 2638/4885MAPT 4468/4885HSD11B1 2640/4885
US-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, NQO2, COASY KMT2A 2544/4885MAPT 4743/4885HSD11B1 769/4885

“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.