SCHEMBL1368930

SCHEMBL1368930

N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.43
METAP2 P50579 5/20 0.39
METAP1 P53582 4/20 0.39
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL9800611 1.00 REN (0.43) RENMETAP2METAP1TP53KDM4E
SCHEMBL9437467 1.00 REN (0.43) RENMETAP2METAP1TP53KDM4E
SCHEMBL7436156 1.00 REN (0.43) RENMETAP2METAP1TP53KDM4E
SCHEMBL9676548 0.96 REN (0.43) RENMETAP2METAP1TP53KDM4E
SCHEMBL8915949 0.94 REN (0.42) RENMETAP2METAP1TP53KDM4E
SCHEMBL25348565 0.88 METAP2 (0.41) RENMETAP2METAP1TP53KDM4E
SCHEMBL29100503 0.88 METAP2 (0.41) RENMETAP2METAP1TP53KDM4E
SCHEMBL25348570 0.88 METAP2 (0.41) RENMETAP2METAP1TP53KDM4E
Hydrochloric Acid SCHEMBL9848324 0.84 REN (0.47) RENMETAP2METAP1TP53KDM4E
SCHEMBL8908821 0.83 SHBG (0.35) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5536816-A Process for producing amides using catalytic amounts of an N-hydroxy compound HOFFMANN-LA ROCHE INC. (US) 1996-07-16 US claimed
US-5310740-A Congestive heart failure, hypotensive agents, antiglaucoma agents; side effect reduction ABBOTT LABORATORIES (US) 1994-05-10 US claimed
US-5284849-A Treating hypertension and congestive heart failure ABBOTT LABORATORIES (US) 1994-02-08 US claimed
EP-0456185-A2 Renin inhibitors ABBOTT LABORATORIES (US) 1991-11-13 EP claimed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US disclosed
EP-0509354-B1 Amino acid derivatives HOFFMANN LA ROCHE (CH) 2000-08-23 EP disclosed
EP-0611774-B1 Production of amides and peptides without racemization in the presence of catalytic amounts of a N-hydroxy-compound HOFFMANN LA ROCHE (CH) 1999-05-26 EP disclosed
US-5750649-A REACTING ACID AND AMINE IN PRESENCE OF CARBODIIMIDE DEHYDRATING AGENT AND N-HYDROXY COMPOUND; PEPTIDES HOFFMANN-LA ROCHE INC. (US) 1998-05-12 US disclosed
US-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed
US-5536816-A Process for producing amides using catalytic amounts of an N-hydroxy compound HOFFMANN-LA ROCHE INC. (US) 1996-07-16 US disclosed
US-5393875-A Hypotensive, cardiotonic and antiischemic agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
US-5278161-A Racemic mixtures HOFFMANN-LA ROCHE INC. (US) 1994-01-11 US disclosed
EP-0572909-A1 Amino acid derivatives as renin inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1993-12-08 EP disclosed
EP-0543245-A1 Renin inhibiting amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-05-26 EP disclosed
EP-0509354-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-10-21 EP disclosed
EP-0499080-A2 Aminoacid derivatibes MERCK PATENT GmbH (DE) 1992-08-19 EP disclosed
EP-0464572-A2 Aminoacid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-01-08 EP disclosed
EP-0456185-A2 Renin inhibitors ABBOTT LABORATORIES (US) 1991-11-13 EP disclosed
EP-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 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 (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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 REN 1827/4885METAP2 2044/4885METAP1 1920/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 REN 1827/4885METAP2 2044/4885METAP1 1920/4885

“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.