SCHEMBL19703898

SCHEMBL19703898

CC(C)C1CCN(C(=O)CC(=O)NC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ EPHX2 P34913 2/20 0.35
▸ CACNA1H O95180 3/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CPN1 P15169 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL19703993 0.85 NPC1 (0.47) ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL19704302 0.81 SMN1; SMN2 (0.38) ALDH1A1LMNASMN1; SMN2NPC1KMT2A
SCHEMBL19698367 0.81 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2EPHX2CACNA1H
SCHEMBL22098001 0.80 LMNA (0.62) LMNASMN1; SMN2KMT2ADPP4GPR119
SCHEMBL20381496 0.79 DPP4 (0.45) ALDH1A1LMNAEPHX2NPC1KMT2A
SCHEMBL20381508 0.79 KMT2A (0.51) ALDH1A1LMNASMN1; SMN2CACNA1HKMT2A
SCHEMBL12125446 0.78 CPN1 (0.41) ALDH1A1EPHX2NPC1KMT2ACPN1
SCHEMBL19703989 0.78 L3MBTL3 (0.44) ALDH1A1LMNASMN1; SMN2CACNA1HNPC1
SCHEMBL18389803 0.77 DPP4 (0.47) ALDH1A1EPHX2NPC1CPN1CPB2
SCHEMBL12876398 0.76 EPHX2 (0.50) ALDH1A1EPHX2NPC1CPN1CPB2

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 ALDH1A1 3212/4885LMNA 2400/4885SMN1; SMN2 2500/4885

“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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