SCHEMBL462831

SCHEMBL462831

CCOC(CNc1nc2ccccc2nc1N1CCN(C(=O)OC(C)(C)C)CC1)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.46
ACHE P22303 2/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OGFRL1 Q5TC84 1/20 0.45
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
KIT P10721 1/20 0.43
SLC2A1 P11166 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE10A Q9Y233 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
CASP1 P29466 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
SCHEMBL405149 0.85 PGK1 (0.45) ACHESLC2A1MEN1KMT2AMAPT
SCHEMBL14829189 0.83 PGK1 (0.42) GBA1ACHECKS1BSKP1SKP2
SCHEMBL15566743 0.79 GPR6 (0.59) GBA1OPRM1OPRD1OGFRL1GPR6
SCHEMBL406105 0.79 HRH4 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL189681 0.78 MAPT (0.61) GBA1ACHEOPRM1OPRD1OGFRL1
SCHEMBL24951551 0.76 GBA1 (0.56) GBA1ACHEOPRM1OPRD1OGFRL1
SCHEMBL30819461 0.76 GBA1 (0.56) GBA1ACHEOPRM1OPRD1OGFRL1
SCHEMBL31143019 0.75 HTR3B (0.57) GBA1ACHEOPRM1OPRD1OGFRL1
SCHEMBL405743 0.75 HTR3B (0.57) GBA1ACHEOPRM1OPRD1OGFRL1
SCHEMBL31133544 0.75 GBA1 (0.53) GBA1ACHEOPRM1OPRD1OGFRL1

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GBA1 1219/4885ACHE 659/4885OPRM1 704/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GBA1 1219/4885ACHE 659/4885OPRM1 704/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GBA1 1219/4885ACHE 659/4885OPRM1 704/4885

“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.