SCHEMBL4883113

SCHEMBL4883113

CC(C)OC(=O)Nc1cccc([C]=O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ALOX15 P16050 1/20 0.44
MAOB P27338 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
CXCR2 P25025 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL7255889 0.87 HPGD (0.54) HPGDALOX15MAOBSMN1; SMN2NPC1
SCHEMBL4883349 0.84 CXCR2 (0.43) HPGDALOX15SMN1; SMN2CXCR2KDM4E
SCHEMBL4882527 0.79 ALDH1A1 (0.55) HPGDMAOBSMN1; SMN2CYP1A2CYP2C9
SCHEMBL4880034 0.78 ALDH1A1 (0.47) HPGDALOX15NPC1CYP1A2CYP2C19
SCHEMBL8653094 0.78 KDM4E (0.51) HPGDALOX15MAOBSMN1; SMN2NPC1
SCHEMBL4889784 0.77 HPGD (0.47) HPGDSMN1; SMN2NPC1CYP1A2CYP2C19
SCHEMBL4888916 0.77 SMN1; SMN2 (0.49) HPGDSMN1; SMN2RAB9ACXCR2L3MBTL1
SCHEMBL11660642 0.76 HPGD (0.53) HPGDALOX15MAOBSMN1; SMN2NPC1
SCHEMBL4771934 0.76 L3MBTL1 (0.61) HPGDMAOBSMN1; SMN2CYP1A2KDM4E
SCHEMBL4879184 0.75 KDM4E (0.51) HPGDNPC1RAB9ACXCR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275112-A1 Invention Concerning Aminoadamantane Compounds SCHREINER PETER R 2008-11-06 US claimed
EP-1789380-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF Justus-Liebig-Universität Giessen (DE) 2007-05-30 EP claimed
WO-2006010362-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2006-02-02 WO claimed
US-20080275112-A1 Invention Concerning Aminoadamantane Compounds SCHREINER PETER R 2008-11-06 US disclosed
EP-1789380-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF Justus-Liebig-Universität Giessen (DE) 2007-05-30 EP disclosed
WO-2006010362-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2006-02-02 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-20080275112-A1 Invention Concerning Aminoadamantane Compounds GABRA5, GABRA1, GABRA4 HPGD 2622/4885ALOX15 2168/4885MAOB 1128/4885

“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.