SCHEMBL4854555

SCHEMBL4854555

CCOc1nc2occc2nc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK8 P45983 1/20 0.35
LMNA P02545 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
SCHEMBL4849652 0.83 POLB (0.39) ALDH1A1MAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL6208492 0.83 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL335134 0.76 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL4855010 0.76 TARBP2 (0.42) ALDH1A1MAPTKDM4EGAAHSD17B10
SCHEMBL4860361 0.73 MAPT (0.38) ALDH1A1MAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL4857813 0.72 GLP1R (0.42) ALDH1A1MAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL8806635 0.72 KDM4E (0.42) ALDH1A1SMN1; SMN2KDM4EGAAHSD17B10
SCHEMBL4861845 0.71 GLP1R (0.36) ALDH1A1MAPTCYP1A2TSHR
SCHEMBL4857831 0.71 KMT2A (0.37) ALDH1A1MAPTSMN1; SMN2KDM4EGAA
SCHEMBL4862703 0.70 GLP1R (0.42) ALDH1A1MAPTKDM4EGAAHSD17B10

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-7456192-B2 3β-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2008-11-25 US claimed
EP-1440075-B1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2005-06-08 EP claimed
US-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2005-04-14 US claimed
US-7456192-B2 3β-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2008-11-25 US 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 ALDH1A1 1130/4885MAPT 4210/4885SMN1; SMN2 2170/4885

“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.