SCHEMBL18153318

SCHEMBL18153318

Cc1ccc(Nc2cc(C)cc(N3CCNCC3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 4/20 0.65
KCNH2 Q12809 1/20 0.48
CACNA1C Q13936 1/20 0.48
ASIC3 Q9UHC3 1/20 0.48
DPP4 P27487 3/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KARS1 Q15046 2/20 0.46
AURKA O14965 2/20 0.45
ADRB1 P08588 2/20 0.45
ROCK1 Q13464 1/20 0.45
ROCK2 O75116 2/20 0.45
RIPK1 Q13546 1/20 0.44
NCF1 P14598 1/20 0.44
PRKD1 Q15139 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 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
SCHEMBL18153419 0.83 BPTF (0.65) BPTFKCNH2CACNA1CASIC3KARS1
SCHEMBL18153416 0.83 CASP1 (0.61) BPTFLMNAMAPTROCK1ROCK2
SCHEMBL3246321 0.82 CASP1 (0.59) BPTFLMNAMAPTROCK2CASP1
SCHEMBL18153355 0.80 LMNA (0.69) BPTFLMNAMAPTROCK2CASP1
SCHEMBL18153264 0.80 BPTF (0.56) BPTFKCNH2CACNA1CASIC3DPP4
SCHEMBL18063516 0.80 LMNA (0.72) BPTFLMNAMAPTROCK1ROCK2
SCHEMBL18063508 0.78 LMNA (0.53) BPTFLMNAMAPTROCK1ROCK2
Hydrochloric Acid SCHEMBL28463160 0.77 AURKA (0.55) DPP4AURKARIPK1
SCHEMBL18153389 0.77 ROCK2 (0.56) BPTFLMNAMAPTROCK1ROCK2
SCHEMBL18063486 0.76 LMNA (0.54) BPTFLMNAMAPTROCK1ROCK2

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 BPTF 2828/4885KCNH2 4825/4885CACNA1C 4655/4885
US-10273228-B2 Hepatitis B viral assembly effectors HAVCR2, MAVS, HCCS BPTF 2828/4885KCNH2 4825/4885CACNA1C 4655/4885

“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.