SCHEMBL2215845

SCHEMBL2215845

CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc3c(CN4CCOCC4)c[nH]c23)CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.72
USP2 O75604 2/20 0.48
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.44
JAK2 O60674 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL4433508 0.85 HRH3 (0.80) HRH3USP2KMT2ALMNA
SCHEMBL2218090 0.83 HRH3 (1.00) HRH3USP2
SCHEMBL2218697 0.83 HRH3 (1.00) HRH3USP2KMT2ALMNA
SCHEMBL2216419 0.80 HRH3 (1.00) HRH3USP2
SCHEMBL2215173 0.77 POLB (0.52) HRH3KMT2APOLB
SCHEMBL15265165 0.73 USP2 (0.49) USP2POLBSMN1; SMN2LMNA
SCHEMBL2220961 0.73 HRH3 (1.00) HRH3
SCHEMBL5336442 0.73 MGLL (0.53) USP2SMN1; SMN2LMNA
SCHEMBL15264811 0.73 MGLL (0.54) USP2KMT2APOLBSMN1; SMN2
SCHEMBL522487 0.72 HRH3 (0.70) HRH3USP2KMT2ASMN1; SMN2

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-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 US disclosed
CN-101679249-A As histamine H 3The indoles of receptor modulators and benzothienyl compounds JANSSEN PHARMACEUTICA NV 2010-03-24 CN 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-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 HRH3 1/4885USP2 3136/4885KMT2A 186/4885

“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.