SCHEMBL19483361

SCHEMBL19483361

CC(C)(C)CC(Cc1cnc[nH]1)C(=O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 1/20 0.52
▸ CYP3A4 P08684 2/20 0.49
▸ SLC7A5 Q01650 1/20 0.49
▸ HRH3 Q9Y5N1 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HRH4 Q9H3N8 3/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ GABRA1 P14867 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GABRR1 P24046 1/20 0.44
▸ GABRR2 P28476 1/20 0.44
▸ GABRA5 P31644 1/20 0.44

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
SCHEMBL22355922 0.80 CYP3A4 (0.67) CYP3A4SLC7A5HRH3ALDH1A1HRH4
SCHEMBL18159726 0.80 CYP3A4 (0.67) CYP3A4SLC7A5HRH3ALDH1A1HRH4
SCHEMBL19483449 0.77 CYP3A4 (0.47) CPB2CYP3A4SLC7A5HRH3ALDH1A1
SCHEMBL19483446 0.77 CYP3A4 (0.47) CPB2CYP3A4SLC7A5HRH3ALDH1A1
SCHEMBL19483380 0.76 — —
SCHEMBL19483355 0.76 — —
SCHEMBL8906903 0.73 HRH3 (0.47) CPB2CYP3A4SLC7A5HRH3HRH4
SCHEMBL12322755 0.72 HRH3 (0.43) CPB2CYP3A4SLC7A5HRH3ALDH1A1
SCHEMBL12319926 0.72 HRH3 (0.42) CPB2CYP3A4SLC7A5HRH3ALDH1A1
SCHEMBL16802380 0.71 ITGB2 (0.41) CPB2CYP3A4SLC7A5HRH3ALDH1A1

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-20170298097-A1 Peptide Derivatives and Uses Thereof NOSOPHARM (FR) 2017-10-19 — — 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-20170298097-A1 Peptide Derivatives and Uses Thereof VIP, IAPP, NGLY1 CPB2 236/4885CYP3A4 4784/4885SLC7A5 1233/4885

“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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