SCHEMBL2714031

SCHEMBL2714031

NC(=O)[C@@H]1CC[C@H](c2ccc(O)cc2)N1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
ESR2 Q92731 2/20 0.37
ESR1 P03372 1/20 0.37
LMNA P02545 1/20 0.36
ACE P12821 2/20 0.34
MME P08473 1/20 0.34
FFAR2 O15552 3/20 0.33
PRMT5 O14744 1/20 0.33
PDE5A O76074 1/20 0.33
DPP4 P27487 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
SCHEMBL2713204 1.00 KCNH2 (0.39) KCNH2ESR2ESR1LMNAACE
SCHEMBL4759457 1.00 KCNH2 (0.39) KCNH2ESR2ESR1LMNAACE
SCHEMBL2712967 1.00 KCNH2 (0.39) KCNH2ESR2ESR1LMNAACE
SCHEMBL20835720 0.87 FFAR2 (0.42) KCNH2ACEFFAR2
SCHEMBL22534056 0.87 ACE (0.42) ESR2ESR1ACEMMEFFAR2
SCHEMBL2839895 0.79 KCNH2 (0.50) KCNH2FFAR2
SCHEMBL22546664 0.79 KCNH2 (0.39) KCNH2ESR2LMNAPDE5A
SCHEMBL839485 0.79 KCNH2 (0.39) KCNH2ESR2LMNAPDE5A
SCHEMBL841008 0.79 KCNH2 (0.39) KCNH2ESR2LMNAPDE5A
SCHEMBL310430 0.79 KCNH2 (0.39) KCNH2ESR2LMNAPDE5A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177426-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES BIOGEN MA INC. 2022-06-09 US disclosed
EP-3953329-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES Biogen MA Inc. (US) 2022-02-16 EP disclosed
WO-2020210485-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES BIOGEN MA INC. (US) 2020-10-15 WO disclosed
EP-1934177-B1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LTD (GB) 2012-05-02 EP disclosed
US-7855218-B2 (5R)-5-(4-{[(2-fluorophenyl)methyl]oxy}phenyl)-L-prolinamide; depression or a mood disorder ; modulation of use-dependent voltage-gated sodium channels Convergence Pharmaceuticals Limited (GB) 2010-12-21 US disclosed
EP-1943216-B1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LTD (GB) 2010-06-30 EP disclosed
US-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 GLAXO GROUP LIMITED (GB) 2010-04-29 US disclosed
US-20100105754-A1 5-(4PHENYL)PROLINAMIDE FOR TREATMENT OF EPILEPSY GLAXO GROUP LIMITED (GB) 2010-04-29 US disclosed
US-7655693-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-02-02 US disclosed
US-20090318530-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2009-12-24 US disclosed
US-20080306122-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-12-11 US disclosed
US-20080280969-A1 Novel Compounds GLAXO GROUP LIMITED 2008-11-13 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 (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-20090318530-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS HCRTR1, TACR2, CNR1 KCNH2 7/4885ESR2 1570/4885ESR1 1354/4885
US-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 KCNJ2, SCN5A, GRIK5 KCNH2 7/4885ESR2 1103/4885ESR1 2206/4885
US-20080306122-A1 Novel Compounds CYP11B1, CYP11B2, CYP46A1 KCNH2 3313/4885ESR2 1471/4885ESR1 3128/4885
US-20220177426-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES CPS1, PCCA, ALDH18A1 KCNH2 774/4885ESR2 3973/4885ESR1 4601/4885
US-20080280969-A1 Novel Compounds CYP11B2, CYP46A1, SLC10A1 KCNH2 1998/4885ESR2 758/4885ESR1 1569/4885
US-20100105754-A1 5-(4PHENYL)PROLINAMIDE FOR TREATMENT OF EPILEPSY SCN5A, SCN1A, SCN7A KCNH2 58/4885ESR2 3735/4885ESR1 4171/4885

“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.