SCHEMBL20135691

SCHEMBL20135691

Clc1ccc2nn(C3CCNCC3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.57
IRAK4 Q9NWZ3 4/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MET P08581 1/20 0.41
TLR7 Q9NYK1 4/20 0.40
TLR9 Q9NR96 3/20 0.40
TLR4 O00206 2/20 0.40
INPPL1 O15357 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
Hydrochloric Acid SCHEMBL28215589 0.99 TLR8 (0.56) TLR8IRAK4NPC1RAB9AMET
SCHEMBL20134852 0.82 TLR8 (0.60) TLR8IRAK4TLR7TLR9TLR4
SCHEMBL20135108 0.82 TLR8 (0.57) TLR8IRAK4TLR7TLR9TLR4
Hydrochloric Acid SCHEMBL30508248 0.81 TLR8 (0.56) TLR8IRAK4TLR7TLR9TLR4
Hydrochloric Acid SCHEMBL28215605 0.81 TLR8 (0.56) TLR8IRAK4TLR7TLR9TLR4
Hydrochloric Acid SCHEMBL28215651 0.81 TLR8 (0.59) TLR8IRAK4TLR7TLR9TLR4
SCHEMBL20809468 0.78 TLR8 (0.52) TLR8IRAK4METTLR7TLR9
SCHEMBL30508196 0.77 TLR8 (0.49) TLR8IRAK4METTLR7TLR9
SCHEMBL30508251 0.77 TLR8 (0.49) TLR8IRAK4METTLR7TLR9
Hydrochloric Acid SCHEMBL28859567 0.77 TLR8 (0.51) TLR8IRAK4METTLR7TLR9

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 3 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-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 TLR8 1204/4885IRAK4 369/4885NPC1 4881/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 TLR8 1209/4885IRAK4 417/4885NPC1 4882/4885

“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.