SCHEMBL790879

SCHEMBL790879

O=C1CC(N2CCCCC2=O)CCN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
FKBP5 Q13451 1/20 0.35
CRBN Q96SW2 1/20 0.35
PIK3R1 P27986 2/20 0.35
PIK3CA P42336 2/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
CTSS P25774 1/20 0.33
OR51E2 Q9H255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LTA4H P09960 1/20 0.32
CYP2D6 P10635 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31

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 SCHEMBL3450854 0.98 KDM4E (0.36) KDM4EGAAPOLBFKBP5CRBN
SCHEMBL1420634 0.79 HTR2C (0.44) DPP4DPP8DPP9CTSSLTA4H
Hydrochloric Acid SCHEMBL3450852 0.77 HTR2C (0.43) DPP4DPP8DPP9CTSSLTA4H
SCHEMBL2853069 0.77 HTR2C (0.43) DPP4DPP8DPP9CTSSLTA4H
SCHEMBL22025278 0.76 HTR6 (0.39)
Hydrochloric Acid SCHEMBL21597931 0.76 HTR2C (0.42) DPP4DPP8DPP9CTSSLTA4H
SCHEMBL22044699 0.76 HTR6 (0.39)
SCHEMBL17672393 0.76 HTR6 (0.39)
SCHEMBL2176405 0.76 DPP4 (0.43) DPP4DPP8DPP9CTSSLTA4H
SCHEMBL18566597 0.75 KDM4E (0.43) KDM4EGAAPOLBALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697865-B2 Cyclic amide derivative, and its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-15 US disclosed
EP-2616074-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS Array Biopharma, Inc. (US) 2013-07-24 EP disclosed
WO-2012037393-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2012-03-22 WO disclosed
EP-1748985-B1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS TAKEDA PHARMACEUTICAL (JP) 2011-06-22 EP disclosed
US-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-06-16 US disclosed
EP-2297097-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-03-23 EP disclosed
US-7745623-B2 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-29 US disclosed
WO-2009152356-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2009-12-17 WO 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 (1 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-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA G6PD, DHFR, SGMS1 KDM4E 2712/4885GAA 722/4885POLB 1553/4885

“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.