SCHEMBL2761882

SCHEMBL2761882

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.42
MAPK1 P28482 3/20 0.40
HSD11B1 P28845 3/20 0.40
CYP2D6 P10635 1/20 0.39
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
P2RX7 Q99572 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL2241415 1.00 KMT2A (0.49) KMT2AMAPTMAPK1HSD11B1CYP2D6
SCHEMBL3974883 0.86 KMT2A (0.45) KMT2AMAPTMAPK1HSD11B1CYP2D6
SCHEMBL16468250 0.86 KMT2A (0.46) KMT2AMAPTHSD11B1
SCHEMBL28094478 0.86 KMT2A (0.46) KMT2AMAPTHSD11B1
SCHEMBL2242605 0.83 KMT2A (0.45) KMT2AMAPTMAPK1HSD11B1CYP2D6
SCHEMBL13764808 0.83 KMT2A (0.42) KMT2AMAPTMAPK1HSD11B1CYP2D6
SCHEMBL761858 0.83 KMT2A (0.45) KMT2AMAPTMAPK1HSD11B1CYP2D6
SCHEMBL13764774 0.83 KMT2A (0.45) KMT2AMAPTMAPK1HSD11B1CYP2D6
SCHEMBL10306123 0.81 KMT2A (0.47) KMT2AMAPTMAPK1HSD11B1CYP2D6
SCHEMBL10306170 0.79 KMT2A (0.39) KMT2AMAPTMAPK1ALDH1A1HPGD

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 18 patents. 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
EP-1882689-B1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-07-10 EP 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-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-8211910-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-07-03 US disclosed
EP-2463274-A1 Tri-or tetra-substituted-3-aminopyrrolidine deritatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-13 EP disclosed
US-7842818-B2 Process for preparation of tetrasubstituted 5-azaspiro[2.4]- heptane derivatives and optically active intermediates thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-11-30 US disclosed
US-20100234410-A1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-16 US disclosed
US-20090270637-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-10-29 US disclosed
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 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
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
EP-1882685-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP 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 (6 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 2610/4885MAPT 2800/4885MAPK1 3966/4885
US-20090270637-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF DHPS, SQLE, NQO2 KMT2A 4244/4885MAPT 4743/4885MAPK1 2470/4885
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, ARL1, NQO2 KMT2A 2807/4885MAPT 4854/4885MAPK1 4370/4885
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 KMT2A 3317/4885MAPT 2436/4885MAPK1 3134/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 KMT2A 3178/4885MAPT 2807/4885MAPK1 3900/4885
US-20100234410-A1 HYDRATE FOR MEDICAL PURPOSES HTR7, UGT1A7, H1-5 KMT2A 798/4885MAPT 1489/4885MAPK1 4260/4885

“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.