SCHEMBL20134762

SCHEMBL20134762

Cc1cc(C)c2c(C3CCNCC3)n[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.39
TLR9 Q9NR96 4/20 0.38
TLR8 Q9NR97 4/20 0.38
TLR7 Q9NYK1 4/20 0.38
HTR2C P28335 6/20 0.37
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ITK Q08881 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
PIM1 P11309 1/20 0.31

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
SCHEMBL29688814 1.00 CHRM4 (0.39) CHRM4TLR9TLR8TLR7HTR2C
SCHEMBL20135195 0.85 SLC6A2 (0.38) CHRM4TLR9TLR8TLR7HTR2C
SCHEMBL24161237 0.73 TLR9 (0.56) TLR9TLR8TLR7
Acetic Acid SCHEMBL7965027 0.72 HTR2C (0.41) TLR9TLR8TLR7HTR2CGABRA1
SCHEMBL20809378 0.71 CHRM4 (0.38) CHRM4TLR9TLR8TLR7HTR2C
Hydrochloric Acid SCHEMBL20134911 0.70 HTR2C (0.37) CHRM4TLR9TLR8TLR7HTR2C
Hydrochloric Acid SCHEMBL29688639 0.70 HTR2C (0.37) CHRM4TLR9TLR8TLR7HTR2C
SCHEMBL20135330 0.69 HTR2C (0.42) CHRM4TLR9TLR8TLR7HTR2C
SCHEMBL20809374 0.69 GRIN2D (0.39) ITK
SCHEMBL5546531 0.69 HTR2C (0.48) HTR2CMEN1KMT2AGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
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-107922347-A New imide derivative and its purposes as medicine 田边三菱制药株式会社 2018-04-17 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 CHRM4 4746/4885TLR9 113/4885TLR8 1204/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CHRM4 4653/4885TLR9 104/4885TLR8 1209/4885

“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.