SCHEMBL761858

SCHEMBL761858

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
MAPK1 P28482 3/20 0.38
MAPT P10636 1/20 0.37
HSD11B1 P28845 3/20 0.35
P2RX7 Q99572 1/20 0.34
ATM Q13315 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
RORC P51449 2/20 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
SCHEMBL13764774 1.00 KMT2A (0.45) KMT2AMAPK1MAPTHSD11B1P2RX7
SCHEMBL2242605 1.00 KMT2A (0.45) KMT2AMAPK1MAPTHSD11B1P2RX7
SCHEMBL19308424 0.87 HSD11B1 (0.40) KMT2AHSD11B1ATM
SCHEMBL16491324 0.87 HSD11B1 (0.40) KMT2AHSD11B1ATM
SCHEMBL3974883 0.86 KMT2A (0.45) KMT2AMAPK1MAPTHSD11B1CYP2D6
SCHEMBL2761882 0.83 KMT2A (0.49) KMT2AMAPK1MAPTHSD11B1P2RX7
SCHEMBL2241415 0.83 KMT2A (0.49) KMT2AMAPK1MAPTHSD11B1P2RX7
SCHEMBL2670214 0.82 KMT2A (0.43) KMT2AMAPK1MAPTHSD11B1P2RX7
SCHEMBL2670528 0.82 KMT2A (0.43) KMT2AMAPK1MAPTHSD11B1P2RX7
SCHEMBL14319760 0.82 KMT2A (0.43) KMT2AMAPK1MAPTHSD11B1P2RX7

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2000467-B1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO CO LTD (JP) 2014-10-01 EP disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-8378119-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-8378119-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 US disclosed
US-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-8211910-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-07-03 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-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-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-06-04 US disclosed
EP-2000467-A9 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2009-03-18 EP disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-2000467-A2 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2008-12-10 EP disclosed
EP-1930321-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF Daiichi Sankyo Company, Limited (JP) 2008-06-11 EP disclosed
EP-1882689-A1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP 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 (5 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-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DHPS, COASY, NQO2 KMT2A 2610/4885MAPK1 3966/4885MAPT 2800/4885
US-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides CTPS1, TPP1, STS KMT2A 3159/4885MAPK1 472/4885MAPT 866/4885
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L KMT2A 2638/4885MAPK1 2465/4885MAPT 4468/4885
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, ARL1, NQO2 KMT2A 2807/4885MAPK1 4370/4885MAPT 4854/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 KMT2A 3178/4885MAPK1 3900/4885MAPT 2807/4885

“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.