SCHEMBL1133337

SCHEMBL1133337

NCC(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
KIF11 P52732 1/20 0.45
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SLC6A3 Q01959 3/20 0.42
DRD3 P35462 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
EDNRB P24530 1/20 0.42

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
Hydrochloric Acid SCHEMBL1133335 0.98 CRHBP (0.51) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL32684616 0.83 CRHBP (0.56) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL9875296 0.83 CRHBP (0.60) CRHBPCRHR2ESR1ESR2KIF11
Glycine SCHEMBL28258751 0.83 CRHBP (0.49) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL16053132 0.82 GABBR2 (0.43) GABBR2GABBR1CYP2D6CYP1A2PKM
SCHEMBL11588080 0.82 GABBR2 (0.43) GABBR2GABBR1CYP2D6CYP1A2PKM
Hydrochloric Acid SCHEMBL27517458 0.82 CRHBP (0.48) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL27546315 0.82 CRHBP (0.48) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL7019908 0.82 CRHBP (0.58) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL7019902 0.82 CRHBP (0.54) CRHBPCRHR2ESR1ESR2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4492707-A ANTILIPEMIC AGENT FARMITALIA CARLO ERBA S.P.A. (IT) 1985-01-08 US claimed
US-20110230665-A1 SYNTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION MICKEL STUART JOHN 2011-09-22 US disclosed
US-7973175-B2 pyrrolidine chemical intermediates useful in the synthesis of drugs, especially enzyme inhibitors, such as Aliskiren NOVARTIS AG (CH) 2011-07-05 US disclosed
EP-2287153-A1 Synthesis Of Renin Inhibitors Involving A Cycloaddition Reaction Novartis AG (CH) 2011-02-23 EP disclosed
EP-1931629-B1 SYNTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION NOVARTIS AG (CH) 2010-12-22 EP disclosed
US-20080255369-A1 Synthesis of Renin Inhibitors Involving a Cycloaddition Reaction NOVARTIS AG (CH) 2008-10-16 US disclosed
EP-1931629-A1 SYTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION Novartis AG (CH) 2008-06-18 EP disclosed
WO-2007039183-A1 SYTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION NOVARTIS AG (CH) 2007-04-12 WO disclosed
CN-1223636-A Matrix metalloproteinase inhibitors PHARMACIA & UPJOHN SPA (IT) 1999-07-21 CN disclosed
US-4595532-A N-(substituted-methyl)-azetidin-2-ones UNIVERSITY OF NOTRE DAME DU LAC (US) 1986-06-17 US disclosed
US-4588738-A N-imidazolyl derivatives of 1,2,3,4-tetrahydro-naphthalene and indan as platelet aggregation inhibitors FARMITALIA CARLO ERBA S.P.A. (IT) 1986-05-13 US disclosed
US-4492707-A ANTILIPEMIC AGENT FARMITALIA CARLO ERBA S.P.A. (IT) 1985-01-08 US disclosed
EP-0116432-A2 Improvements in or relating to N-(substituted-methyl)-azetidin-2-ones THE UNIVERSITY OF NOTRE DAME DU LAC (US) 1984-08-22 EP disclosed
US-4097670-A ANTIBIOTICS E. R. SQUIBB & SONS, INC. (US) 1978-06-27 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-20080255369-A1 Synthesis of Renin Inhibitors Involving a Cycloaddition Reaction REN, AGTR1, AGTR2 CRHBP 1632/4885CRHR2 95/4885ESR1 2965/4885
US-20110230665-A1 SYNTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION REN, AGTR1, AGTR2 CRHBP 1632/4885CRHR2 95/4885ESR1 2965/4885

“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.