SCHEMBL12836133

SCHEMBL12836133

CC(CC(N)=O)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HIF1A Q16665 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HTT P42858 2/20 0.46
GFER P55789 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
CNR2 P34972 2/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL12836132 0.98 MAPT (0.48) ALDH1A1MAPTNPSR1HIF1AKDM4E
SCHEMBL2370495 0.87 HDAC3 (0.48) ALDH1A1MAPTKDM4EGFERNPC1
SCHEMBL1038565 0.87 ALDH1A1 (0.53) ALDH1A1MAPTHIF1AKDM4EHTT
SCHEMBL5358916 0.81 CNR2 (0.45) ALDH1A1MAPTNPSR1HIF1AKDM4E
SCHEMBL5512244 0.79 HRH3 (0.52) ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL22504111 0.78 CNR2 (0.42) ALDH1A1MAPTNPSR1HIF1AKDM4E
Hydrochloric Acid SCHEMBL5877923 0.78 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1KDM4EHTT
SCHEMBL24136303 0.77 ALDH1A1 (0.50) ALDH1A1MAPTNPSR1HIF1AKDM4E
SCHEMBL27346732 0.76 ALDH1A1 (0.49) ALDH1A1MAPTNPSR1KDM4EGFER
SCHEMBL27565323 0.76 ALDH1A1 (0.53) ALDH1A1MAPTNPSR1HIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212155-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2015-12-15 US disclosed
WO-2011034849-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMED PHARMA, INC. (US) 2011-03-24 WO disclosed
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2011-02-24 US disclosed
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2011-02-24 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-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GAP43, CHRNA10, CHRNA6 ALDH1A1 1414/4885MAPT 51/4885NPSR1 25/4885

“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.