SCHEMBL20135667

SCHEMBL20135667

Cc1ccc2nc(C3CCNCC3)oc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.42
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
OPRM1 P35372 1/20 0.37
GPR4 P46093 1/20 0.37
HTR3A P46098 1/20 0.37
KCNH2 Q12809 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR2C P28335 6/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL29688843 1.00 MPO (0.42) MPOTLR9TLR8TLR7OPRM1
SCHEMBL20134872 0.76 MPO (0.49) MPOHTR3AHTR2CBCHEACHE
SCHEMBL29892036 0.73 MPO (0.59) MPOHTR2CGABRA1GABRB2
SCHEMBL2708939 0.73 MPO (0.59) MPOHTR2CGABRA1GABRB2
SCHEMBL20135544 0.73 HTR2C (0.46) MPOHTR2CBCHEACHENR1H4
SCHEMBL23410952 0.72 TLR9 (0.52) TLR9TLR8TLR7HTR2C
SCHEMBL31150127 0.72 TLR9 (0.52) TLR9TLR8TLR7HTR2C
SCHEMBL373400 0.71 MPO (0.54) MPOKCNH2BCHEACHEMEN1
SCHEMBL2856494 0.70 HTR2C (0.47) MPOTLR9TLR7HTR2CGABRA1
SCHEMBL7964498 0.70 MPO (0.49) MPOTLR9TLR7BCHEACHE

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 5 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

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 MPO 80/4885TLR9 113/4885TLR8 1204/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 MPO 84/4885TLR9 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.