SCHEMBL7299175

SCHEMBL7299175

CC(=O)N1CCC(CCCO)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
EPHX2 P34913 5/20 0.40
EPHX1 P07099 2/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
GNAI3 P08754 2/20 0.40
GNAO1 P09471 2/20 0.40
GNAI1 P63096 2/20 0.40
CNR2 P34972 1/20 0.39
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1501881 0.88 AKR1C3 (0.43) AKR1C3EPHX2EPHX1GNAI3GNAO1
SCHEMBL12561511 0.85 POLB (0.51) EPHX2EPHX1ITGB3ITGA2BGNAI3
SCHEMBL26263461 0.83 GNAI3 (0.53) EPHX2EPHX1ITGB3ITGA2BGNAI3
SCHEMBL13597080 0.83 GNAI3 (0.53) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL7309611 0.83 EPHX2 (0.39) EPHX2EPHX1ITGB3ITGA2BGNAI3
SCHEMBL3457863 0.83 EPHX2 (0.39) EPHX2EPHX1ITGB3ITGA2BGNAI3
SCHEMBL1840437 0.82 ITGB3 (0.44) AKR1C3ITGB3ITGA2BGNAI3GNAO1
SCHEMBL7227535 0.81 ITGB3 (0.55) EPHX2EPHX1ITGB3ITGA2BGNAI3
SCHEMBL22562145 0.81 GNAI3 (0.55) GNAI3GNAO1GNAI1
SCHEMBL18761634 0.81 GNAI3 (0.55) GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed
EP-0479601-B1 Piperidine derivatives and their use as antiarrhythmic agents AJINOMOTO KK (JP) 1999-12-15 EP disclosed
EP-0853107-A1 Ink jet ink compositions comprising hydroxyamide derivatives and printing processes XEROX CORPORATION (US) 1998-07-15 EP disclosed
US-5693129-A AQUEOUS MIXCTURE CONTAINING COLORING AND A HYDROXYAMIDE, THIOAMIDE, MERCAPTOAMIDE, MERCAPTOTHIOAMIDE OR AN OXYALKYLENE OR A THIOALKYLENE REACTION PRODUCT OF THE AMIDES, FOR HIGH RESOLUTION, REDUCED CURLING XEROX CORPORATION (US) 1997-12-02 US disclosed
US-5229400-A Cardiovascular disorders AJINOMOTO CO., INC. (JP) 1993-07-20 US disclosed
EP-0479601-A2 Piperidine derivatives and their use as antiarrhythmic agents Ajinomoto Co., Inc. (JP) 1992-04-08 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 (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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 AKR1C3 1507/4885EPHX2 3334/4885EPHX1 3110/4885

“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.