SCHEMBL19703782

SCHEMBL19703782

CC1CCN(C(=O)CCC(=O)ON2C(=O)CCC2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.53
▸ ALDH1A1 P00352 5/20 0.45
▸ HPGD P15428 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41

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
SCHEMBL19703694 0.92 NPC1 (0.62) NPC1ALDH1A1HPGDLMNAKMT2A
SCHEMBL19703777 0.87 ALDH1A1 (0.46) NPC1ALDH1A1HPGDLMNAKMT2A
SCHEMBL19698164 0.85 CYP2D6 (0.37) NPC1ALDH1A1LMNAKMT2AMEN1
SCHEMBL21664525 0.79 POLB (0.55) NPC1ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL17740037 0.78 NPC1 (0.43) NPC1ALDH1A1HPGDLMNAKMT2A
SCHEMBL16330527 0.78 ALDH1A1 (0.39) ALDH1A1LMNA
SCHEMBL19698112 0.78 NPC1 (0.43) NPC1ALDH1A1HPGDLMNAKMT2A
SCHEMBL20034713 0.78 NPC1 (0.43) NPC1ALDH1A1HPGDLMNAKMT2A
SCHEMBL43576 0.78 PSMB8 (0.35) HPGDLMNAKMT2ASMN1; SMN2
SCHEMBL12092238 0.77 TACR1 (0.36) ALDH1A1HPGDLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 2704/4885ALDH1A1 3212/4885HPGD 3861/4885

“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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