SCHEMBL3747711

SCHEMBL3747711

COc1ccc2c(c1)OCc1c(C(=O)O)n[nH]c1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 4/20 0.44
CYP3A4 P08684 4/20 0.44
USP2 O75604 2/20 0.44
ALOX15 P16050 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PRKAG1 P54619 3/20 0.44
PRKAA1 Q13131 3/20 0.44
PRKAB1 Q9Y478 3/20 0.44
PRKAB2 O43741 2/20 0.44
PRKAA2 P54646 2/20 0.44
PRKAG3 Q9UGI9 2/20 0.44
PRKAG2 Q9UGJ0 2/20 0.44
ALPL P05186 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CLK1 P49759 1/20 0.44
PGR P06401 1/20 0.43
MAOB P27338 3/20 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
SCHEMBL3518546 0.94 MAPT (0.40) KMT2AMAPTKDM4EMEN1CYP3A4
SCHEMBL3518121 0.91 ALDH1A1 (0.43) KMT2AMAPTKDM4EMEN1ALOX15
SCHEMBL3518550 0.84 MAPT (0.39) KMT2AMAPTKDM4EMEN1CYP3A4
SCHEMBL3517488 0.80 UGCG (0.49) KMT2AMAPTKDM4EMEN1CYP3A4
SCHEMBL2171482 0.78 KDM4E (0.59) KMT2AKDM4EALPLHSD17B10MAOB
SCHEMBL4726990 0.77 PDGFRB (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL3521482 0.76 IDH1 (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
Hydrochloric Acid SCHEMBL3519180 0.76 IDH1 (0.39) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL3515978 0.75 PDGFRB (0.42) KMT2AMAPTKDM4EMEN1SMN1; SMN2
SCHEMBL2171831 0.75 HCAR2 (0.40) KMT2AKDM4EPRKAG1PRKAA1PRKAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease MEMORY PHARMACEUTICALS CORPORATION (US) 2010-11-25 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-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease CHRNA7, CHRNA6, CHRNA5 KMT2A 3050/4885MAPT 1630/4885KDM4E 2916/4885

“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.