SCHEMBL18153403

SCHEMBL18153403

COc1cc(Nc2ccc(C)cc2)nc(N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 2/20 0.48
GALR1 P47211 1/20 0.48
ACHE P22303 2/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.45
GPR119 Q8TDV5 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C19 P33261 1/20 0.43
SLC2A1 P11166 1/20 0.43
PTPN11 Q06124 1/20 0.43
TSHR P16473 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CCNK O75909 1/20 0.42

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
SCHEMBL18063521 0.89 MAPT (0.58) GALR2GALR1ACHEMAPTLMNA
SCHEMBL18063528 0.88 ACHE (0.48) GALR2GALR1ACHEMAPTLMNA
SCHEMBL18162439 0.87 ACHE (0.47) GALR2GALR1ACHEMAPTLMNA
SCHEMBL18162512 0.85 ACHE (0.46) GALR2GALR1ACHEMAPTLMNA
SCHEMBL18063550 0.85 ACHE (0.48) GALR2GALR1ACHEMAPTLMNA
SCHEMBL18162424 0.85 GALR2 (0.55) GALR2GALR1ACHEMAPTLMNA
SCHEMBL18063505 0.85 ACHE (0.46) GALR2GALR1ACHEMAPTLMNA
SCHEMBL18063483 0.85 MAPT (0.52) GALR2GALR1ACHEMAPTLMNA
SCHEMBL18153367 0.84 GALR2 (0.55) GALR2GALR1ACHEMAPTLMNA
SCHEMBL18087217 0.83 ACHE (0.46) GALR2GALR1ACHEMAPTLMNA

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
EP-3283472-B1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS UNIV INDIANA RES & TECH CORP (US) 2021-04-14 EP disclosed
US-10273228-B2 Hepatitis B viral assembly effectors INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-04-30 US disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 US disclosed
US-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-04-12 US disclosed
EP-3283472-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS Indiana University Research&Technology Corporation (US) 2018-02-21 EP disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 WO disclosed
WO-2016168619-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-20 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 (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-20180099952-A1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS HAVCR2, MAVS, HCCS GALR2 3809/4885GALR1 3419/4885ACHE 3524/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS GALR2 3809/4885GALR1 3419/4885ACHE 3524/4885

“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.