SCHEMBL20116646

SCHEMBL20116646

CCC(=O)N1CCC(c2nc(-c3ccc(OC)c(OC)c3)no2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.59
TSHR P16473 2/20 0.59
MEN1 O00255 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
KMT2A Q03164 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 2/20 0.58
USP2 O75604 1/20 0.58
SMO Q99835 1/20 0.58
TLR9 Q9NR96 1/20 0.54
TLR8 Q9NR97 1/20 0.54
TLR7 Q9NYK1 1/20 0.54
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL20116204 0.91 HTT (0.58) HTTTSHRMEN1CYP3A4CYP2C9
SCHEMBL20116645 0.91 HTT (0.58) HTTTSHRMEN1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL20660764 0.90 HTT (0.58) HTTTSHRMEN1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL30506238 0.90 HTT (0.58) HTTTSHRMEN1CYP3A4CYP2C9
SCHEMBL20116121 0.87 TSHR (0.71) HTTTSHRMEN1CYP3A4CYP2C9
SCHEMBL20116341 0.87 HTT (0.57) HTTTSHRMEN1CYP3A4CYP2C9
SCHEMBL20660946 0.87 SMO (0.56) HTTTSHRMEN1CYP3A4CYP2C9
SCHEMBL20116343 0.85 TSHR (0.65) HTTTSHRMEN1CYP3A4CYP2C9
SCHEMBL22357775 0.85 SMO (0.55) HTTTSHRMEN1CYP3A4CYP2C9
SCHEMBL21609973 0.85 SMO (0.55) HTTTSHRMEN1CYP3A4CYP2C9

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-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 HTT 6/4885TSHR 4679/4885MEN1 1807/4885

“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.