SCHEMBL4223025

SCHEMBL4223025

O=C(CN1CCC(CO)CC1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
KDM4E B2RXH2 1/20 0.63
CACNA1H O95180 9/20 0.60
EPHX1 P07099 5/20 0.60
EPHX2 P34913 3/20 0.51
PSMB5 P28074 1/20 0.48

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
SCHEMBL4222713 0.85 ALDH1A1 (0.72) ALDH1A1KDM4ECACNA1HEPHX1EPHX2
SCHEMBL4365559 0.81 ALDH1A1 (0.94) ALDH1A1KDM4ECACNA1HEPHX1PSMB5
SCHEMBL4218220 0.81 ALDH1A1 (0.67) ALDH1A1KDM4ECACNA1HEPHX1PSMB5
SCHEMBL26082301 0.78 CACNA1H (0.77) ALDH1A1KDM4ECACNA1HEPHX1EPHX2
SCHEMBL4226730 0.77 KDM4E (0.72) ALDH1A1KDM4ECACNA1HEPHX1EPHX2
SCHEMBL26498849 0.75 CACNA1H (1.00) ALDH1A1KDM4ECACNA1HEPHX1PSMB5
SCHEMBL4218180 0.75 ALDH1A1 (0.76) ALDH1A1KDM4ECACNA1HPSMB5
SCHEMBL4222774 0.72 KDM4E (0.65) ALDH1A1KDM4ECACNA1HEPHX1EPHX2
SCHEMBL26464310 0.72 CACNA1H (0.92) ALDH1A1KDM4ECACNA1HEPHX1PSMB5
SCHEMBL4216881 0.72 ALDH1A1 (0.70) ALDH1A1KDM4ECACNA1HEPHX1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 US disclosed
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 US disclosed
US-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES AGOURON PHARMACEUTICALS INC. (US) 2009-04-09 US disclosed
EP-1812407-A2 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBSTITUTED ADAMANTYL AMIDES Pfizer, Inc. (US) 2007-08-01 EP disclosed
WO-2006048750-A2 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBSTITUTED ADAMANTYL AMIDES PFIZER INC. (US) 2006-05-11 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-20090093463-A1 NOVEL COMPOUNDS OF SUBSTITUTED AND UNSUBTITUTED ADAMANTYL AMIDES HSD11B1, HSD11B2, HSD17B11 ALDH1A1 50/4885KDM4E 2439/4885CACNA1H 2518/4885

“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.