SCHEMBL17697368

SCHEMBL17697368

CC(=O)[C@H](Cc1cnc[nH]1)NN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.54
▸ SLC7A5 Q01650 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.51
▸ HRH4 Q9H3N8 3/20 0.51
▸ HRH3 Q9Y5N1 3/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ ITGB2 P05107 2/20 0.49
▸ ICAM1 P05362 2/20 0.49
▸ ITGAL P20701 2/20 0.49
▸ QPCT Q16769 1/20 0.49
▸ QPCTL Q9NXS2 1/20 0.49
▸ CPB2 Q96IY4 1/20 0.47

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
SCHEMBL17846596 0.86 CYP3A4 (0.64) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL13979576 0.86 CYP3A4 (0.51) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL1641647 0.86 CYP3A4 (0.51) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL15119370 0.86 CYP3A4 (0.51) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL15080457 0.84 REN (0.54) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL18748750 0.83 CYP3A4 (0.49) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL23312951 0.82 SLC15A2 (0.61) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL15259304 0.82 CYP3A4 (0.46) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL12323344 0.82 HRH4 (0.49) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL12829313 0.82 CYP3A4 (0.48) CYP3A4SLC7A5ALDH1A1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107248-A1 SITE SPECIFIC PROTEIN MODIFICATIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-04-20 — — US disclosed
US-20160108102-A1 Novel GLP-1 Derivatives NOVO NORDISK AS (DK) 2016-04-21 — — 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-20170107248-A1 SITE SPECIFIC PROTEIN MODIFICATIONS PTMS, DNPEP, ANPEP CYP3A4 4329/4885SLC7A5 1118/4885ALDH1A1 4438/4885
US-20160108102-A1 Novel GLP-1 Derivatives GLP1R, GIPR, IAPP CYP3A4 3519/4885SLC7A5 1592/4885ALDH1A1 3523/4885

“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.

Send feedback