SCHEMBL19698164

SCHEMBL19698164

CC(C)(C)C1CCN(C(=O)CCC(=O)ON2C(=O)CCC2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33

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
SCHEMBL19698112 0.92 NPC1 (0.43) CYP2D6KCNH2HRH3NPC1RAB9A
SCHEMBL19698159 0.88 CYP2D6 (0.38) CYP2D6KCNH2HRH3NPC1RAB9A
SCHEMBL19703782 0.85 NPC1 (0.53) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL19698575 0.85 NPC1 (0.39) CYP2D6KCNH2HRH3NPC1RAB9A
SCHEMBL20033292 0.83 CYP2D6 (0.34) CYP2D6KCNH2HRH3NPC1RAB9A
SCHEMBL32682848 0.79 DDB1 (0.49) LMNADDB1CRBNALDH1A1EPHX2
SCHEMBL12092238 0.79 TACR1 (0.36) HRH3TSHRLMNAPOLBDDB1
SCHEMBL19703694 0.77 NPC1 (0.62) NPC1RAB9ALMNAALDH1A1EPHX2
SCHEMBL21664525 0.76 POLB (0.55) NPC1RAB9ATSHRLMNAPOLB
SCHEMBL19703914 0.76 NPC1 (0.40) CYP2D6KCNH2HRH3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938323-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2018-04-10 — — US disclosed
US-9938323-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2018-04-10 — — US disclosed
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 — — US disclosed
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 — — US 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-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT CYP2D6 4032/4885KCNH2 3926/4885HRH3 3016/4885

“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.

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