SCHEMBL19483382

SCHEMBL19483382

CC(C)(C)C[C@@H](Cc1ccccn1)C(=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.50
▸ PTPRA P18433 1/20 0.50
▸ CYP2C19 P33261 1/20 0.47
▸ FDPS P14324 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL19483360 1.00 CYP1A2 (0.50) CYP1A2PTPRACYP2C19FDPSSMN1; SMN2
SCHEMBL16501756 0.80 PTPRA (0.51) CYP1A2PTPRACYP2C19FDPSSMN1; SMN2
SCHEMBL12194032 0.80 PTPRA (0.51) CYP1A2PTPRACYP2C19FDPSSMN1; SMN2
SCHEMBL19483458 0.77 CYP1A2 (0.48) CYP1A2PTPRACYP2C19FDPSSMN1; SMN2
SCHEMBL19483390 0.76 CYP1A2 (0.55) CYP1A2MAPTNPC1RAB9A
SCHEMBL19483359 0.76 CYP1A2 (0.55) CYP1A2MAPTNPC1RAB9A
SCHEMBL2187235 0.74 PTPRA (0.59) CYP1A2PTPRACYP2C19FDPSSMN1; SMN2
SCHEMBL8906670 0.73 HDAC6 (0.50) CYP1A2PTPRAFDPSSMN1; SMN2ALDH1A1
SCHEMBL2399184 0.73 PTPRA (0.63) CYP1A2PTPRACYP2C19FDPSSMN1; SMN2
SCHEMBL19483358 0.73 CYP3A4 (0.42) CYP1A2CYP2C19TSHRALDH1A1MAPT

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 CYP1A2 4882/4885PTPRA 1903/4885CYP2C19 4735/4885

“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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