SCHEMBL3609859

SCHEMBL3609859

N#CC(c1ccccc1)N1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
ACHE P22303 5/20 0.66
OPRL1 P41146 1/20 0.61
CYP1A2 P05177 5/20 0.55
CYP2D6 P10635 5/20 0.55
CYP2C9 P11712 5/20 0.55
CYP2C19 P33261 5/20 0.55
CYP3A4 P08684 4/20 0.55
KCNA5 P22460 4/20 0.55
KCNH2 Q12809 4/20 0.55
KCNE1 P15382 1/20 0.53
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51
HSD11B1 P28845 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL519228 0.98 ALDH1A1 (0.69) ALDH1A1ACHEOPRL1CYP1A2CYP2D6
SCHEMBL11813176 0.92 OPRL1 (0.65) ALDH1A1ACHEOPRL1HSD11B1SMN1; SMN2
SCHEMBL18274478 0.85 ALDH1A1 (0.62) ALDH1A1ACHEOPRL1CYP1A2CYP2D6
SCHEMBL11612810 0.85 OPRD1 (0.54) ALDH1A1ACHEOPRL1CYP1A2CYP2D6
SCHEMBL5752267 0.83 OPRD1 (0.59) ALDH1A1ACHEOPRL1HSD11B1SMN1; SMN2
SCHEMBL2781893 0.83 ALDH1A1 (0.71) ALDH1A1ACHEOPRL1CYP2D6CYP2C9
SCHEMBL14593219 0.83 CHRM2 (0.59) ALDH1A1ACHEOPRL1CYP2D6CYP2C19
SCHEMBL11108309 0.81 ACHE (0.51) ALDH1A1ACHEOPRL1CYP1A2CYP2D6
SCHEMBL16462127 0.81 ALDH1A1 (0.73) ALDH1A1ACHEOPRL1CYP2D6CYP3A4
SCHEMBL11263177 0.81 ALDH1A1 (0.62) ALDH1A1ACHEOPRL1TSHRRAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3349581-B1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2021-12-01 EP disclosed
US-10766890-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2020-09-08 US disclosed
US-10766890-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2020-09-08 US disclosed
US-20180265484-A1 HEPATITIS B CORE PROTEIN MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-09-20 US disclosed
EP-3349581-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2018-07-25 EP disclosed
WO-2017048962-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO disclosed
WO-2017048962-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO disclosed
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
EP-1781623-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS Novartis AG (CH) 2007-05-09 EP disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 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 (3 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-20180265484-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 4316/4885ACHE 2193/4885OPRL1 2924/4885
US-10766890-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS ALDH1A1 4316/4885ACHE 2193/4885OPRL1 2924/4885
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF ALDH1A1 4107/4885ACHE 1054/4885OPRL1 3275/4885

“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.