SCHEMBL20135330

SCHEMBL20135330

Cc1cnc(C2CCNCC2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.42
CHRM4 P08173 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
SSTR4 P31391 1/20 0.36
HTR1A P08908 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
KIT P10721 1/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL17248015 0.87 NOS3 (0.45) CHRM4NOS3NOS1NOS2SSTR4
SCHEMBL12250792 0.83 NOS3 (0.42) CHRM4NOS3NOS1NOS2
SCHEMBL30366123 0.83 TLR9 (0.40) HTR2CCHRM4TLR9TLR8TLR7
SCHEMBL23439627 0.83 SLC6A2 (0.44) HTR2CCHRM4TLR9TLR8TLR7
SCHEMBL25723470 0.80 CHRM4 (0.40) HTR2CCHRM4TLR9TLR8TLR7
SCHEMBL29287756 0.79 EP300 (0.38) HTR2CCHRM4TLR9TLR8TLR7
SCHEMBL31533212 0.79 EP300 (0.38) HTR2CCHRM4TLR9TLR8TLR7
Hydrochloric Acid SCHEMBL25275850 0.79 CHRM4 (0.39) HTR2CCHRM4TLR9TLR8TLR7
SCHEMBL31702071 0.75 PLAT (0.41)
SCHEMBL21339498 0.74 KIT (0.46) HTR2CCHRM4TLR9TLR8TLR7

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-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP disclosed
CN-1805951-A Substituted piperidine carbamates for use as inhibitors of hormone sensitive lipase NOVO NORDISK AS (DK) 2006-07-19 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 (2 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 HTR2C 3534/4885CHRM4 4746/4885TLR9 113/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 HTR2C 3675/4885CHRM4 4653/4885TLR9 104/4885

“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.