SCHEMBL2401948

SCHEMBL2401948

CC(C)(C)N(C(=O)O)C1CN(c2ncc(-c3cccs3)n3cnnc23)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.35
HCRTR2 O43614 5/20 0.35
HRH4 Q9H3N8 2/20 0.33
FYN P06241 5/20 0.33
EED O75530 2/20 0.32
RBBP4 Q09028 1/20 0.32
SUZ12 Q15022 1/20 0.32
EZH2 Q15910 1/20 0.32
PTK6 Q13882 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32
NEK2 P51955 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
GRK5 P34947 1/20 0.31
SRC P12931 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL2401665 0.83 HRH4 (0.47) HCRTR1HCRTR2HRH4FYNEED
SCHEMBL2403888 0.80 HRH4 (0.37) HCRTR1HCRTR2HRH4FYNPTK6
SCHEMBL12269517 0.79 PDE10A (0.42) HRH4EEDRBBP4SUZ12EZH2
SCHEMBL2405691 0.78 HRH4 (0.44) HCRTR1HCRTR2HRH4FYNALDH1A1
SCHEMBL2404637 0.78 HRH4 (0.48) HRH4FYNALDH1A1SRC
SCHEMBL2400828 0.78 HCRTR1 (0.39) HCRTR1HCRTR2HRH4FYNALDH1A1
Hydrochloric Acid SCHEMBL2404771 0.77 HRH4 (0.43) HCRTR1HCRTR2HRH4FYNALDH1A1
SCHEMBL2406244 0.76 FYN (0.37) HCRTR1HCRTR2FYNALDH1A1POLB
SCHEMBL2402671 0.75 HRH4 (0.50) HRH4ALDH1A1
SCHEMBL2403452 0.71 FYN (0.35) HCRTR1HCRTR2FYNALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
WO-2011112766-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 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-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HCRTR1 9/4885HCRTR2 12/4885HRH4 1/4885

“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.