SCHEMBL4851071

SCHEMBL4851071

COc1ccc(CN2C3CCC2CC(N)C3)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
SIGMAR1 Q99720 3/20 0.49
CXCR4 P61073 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
CMA1 P23946 1/20 0.44
CYP3A4 P08684 1/20 0.43

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
SCHEMBL24976330 0.84 LTA4H (0.46) LTA4HSIGMAR1CXCR4CYP3A4
SCHEMBL24975784 0.84 LTA4H (0.46) LTA4HSIGMAR1CXCR4CYP3A4
SCHEMBL11266772 0.81 LTA4H (0.48) LTA4HSIGMAR1CXCR4L3MBTL1ALDH1A1
SCHEMBL3881484 0.80 DRD2 (0.48) LTA4HSIGMAR1ALDH1A1KDM4EMAPT
SCHEMBL3881487 0.80 DRD2 (0.48) LTA4HSIGMAR1ALDH1A1KDM4EMAPT
SCHEMBL30833195 0.80 DRD2 (0.48) LTA4HSIGMAR1ALDH1A1KDM4EMAPT
SCHEMBL11094109 0.80 LTA4H (0.58) LTA4HCXCR4L3MBTL1ALDH1A1CYP2D6
SCHEMBL30833222 0.79 DRD2 (0.51) LTA4HMAPT
SCHEMBL3880873 0.79 DRD2 (0.51) LTA4HMAPT
SCHEMBL3880869 0.79 DRD2 (0.51) LTA4HMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456192-B2 3β-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2008-11-25 US disclosed
EP-1440075-B1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2005-06-08 EP disclosed
US-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2005-04-14 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 (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-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof AOC3, MAOB, AOC1 LTA4H 2910/4885SIGMAR1 153/4885CXCR4 145/4885

“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.