SCHEMBL13541547

SCHEMBL13541547

CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.74
OPRK1 P41145 2/20 0.74
SLC22A2 O15244 1/20 0.74
SLC22A1 O15245 1/20 0.74
PGR P06401 1/20 0.74
THRB P10828 1/20 0.74
ADRB3 P13945 1/20 0.74
BLM P54132 1/20 0.74
PMP22 Q01453 1/20 0.74
PDE3A Q14432 1/20 0.74
SLC47A1 Q96FL8 1/20 0.74
CYP3A4 P08684 1/20 0.74
ALOX15 P16050 1/20 0.74
TSHR P16473 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
CHRM3 P20309 7/20 0.58
CHRM2 P08172 4/20 0.58
CHRM1 P11229 2/20 0.58
CYP2D6 P10635 2/20 0.58
LMNA P02545 1/20 0.58

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
SCHEMBL6576298 0.87 KCNH2 (0.61) KCNH2OPRK1SLC22A2SLC22A1PGR
Disopyramide SCHEMBL16153 0.86 KCNH2 (1.00) KCNH2OPRK1SLC22A2SLC22A1PGR
Disopyramide SCHEMBL23931452 0.86 KCNH2 (1.00) KCNH2OPRK1SLC22A2SLC22A1PGR
(S)-Disopyramide SCHEMBL41811 0.86 KCNH2 (1.00) KCNH2OPRK1SLC22A2SLC22A1PGR
Disopyramide SCHEMBL546251 0.85 KCNH2 (0.98) KCNH2OPRK1SLC22A2SLC22A1PGR
SCHEMBL11479945 0.84 KCNH2 (0.59) KCNH2OPRK1SLC22A2SLC22A1PGR
Hydrochloric Acid SCHEMBL11535326 0.83 KCNH2 (0.57) KCNH2OPRK1SLC22A2SLC22A1PGR
Disopyramide SCHEMBL9097836 0.83 KCNH2 (0.93) KCNH2OPRK1SLC22A2SLC22A1PGR
SCHEMBL6576237 0.82 CYP3A4 (0.56) KCNH2OPRK1SLC22A2SLC22A1PGR
Iodomethane SCHEMBL11534093 0.82 KCNH2 (0.56) KCNH2OPRK1SLC22A2SLC22A1PGR

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-9012419-B2 Methods and compositions related to eosinophil regulation UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-04-21 US disclosed
US-9012419-B2 Methods and compositions related to eosinophil regulation UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-04-21 US disclosed
US-20100016410-A1 Methods and Compositions Related to Eosinophil Regulation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-21 US disclosed
US-20100016410-A1 Methods and Compositions Related to Eosinophil Regulation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-21 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-20100016410-A1 Methods and Compositions Related to Eosinophil Regulation EPX, CCL11, ELANE KCNH2 3182/4885OPRK1 3115/4885SLC22A2 4333/4885

“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.