SCHEMBL18809892

SCHEMBL18809892

CN(C)C(=O)C(N)Cc1cnc[nH]1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.67
▸ SLC7A5 Q01650 1/20 0.67
▸ NLN Q9BYT8 2/20 0.58
▸ HRH4 Q9H3N8 3/20 0.56
▸ HRH3 Q9Y5N1 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ THPO P40225 1/20 0.56
▸ LMNA P02545 1/20 0.54
▸ APEX1 P27695 1/20 0.54
▸ BLM P54132 1/20 0.54

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
SCHEMBL3632930 0.85 CYP3A4 (0.60) CYP3A4SLC7A5NLNHRH4HRH3
Histidine SCHEMBL27388700 0.84 CYP3A4 (0.88) CYP3A4SLC7A5NLNHRH4HRH3
SCHEMBL29245588 0.82 CYP3A4 (0.56) CYP3A4SLC7A5NLNHRH4HRH3
SCHEMBL18162806 0.82 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL13609239 0.82 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL7962292 0.82 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL23974118 0.81 NLN (0.55) CYP3A4SLC7A5NLNHRH4HRH3
Histidine SCHEMBL28093400 0.81 CYP3A4 (0.93) CYP3A4SLC7A5HRH4HRH3ALDH1A1
D-Histidine SCHEMBL288043 0.80 CYP3A4 (1.00) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL5497653 0.80 CYP3A4 (0.75) CYP3A4SLC7A5HRH4HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974862-B2 Lipid particles and nucleic acid delivery carrier FUJIFILM CORPORATION (JP) 2018-05-22 — — US disclosed
US-20170121714-A1 METHOD FOR PRODUCING LIPID PARTICLES AND NUCLEIC ACID DELIVERY CARRIER HAVING LIPID PARTICLES FUJIFILM CORPORATION (JP) 2017-05-04 — — US disclosed
US-20170119887-A1 LIPID PARTICLES AND NUCLEIC ACID DELIVERY CARRIER FUJIFILM CORPORATION (JP) 2017-05-04 — — 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 (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-20170121714-A1 METHOD FOR PRODUCING LIPID PARTICLES AND NUCLEIC ACID DELIVERY CARRIER HAVING LIPID PARTICLES LIPA, LIPC, POLR2H CYP3A4 2085/4885SLC7A5 1559/4885NLN 2251/4885
US-20170119887-A1 LIPID PARTICLES AND NUCLEIC ACID DELIVERY CARRIER NPC1, NPC1L1, LDLR CYP3A4 4422/4885SLC7A5 178/4885NLN 1111/4885

“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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