SCHEMBL5754475

SCHEMBL5754475

O=C1NCCC/C1=C/c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
F3 P13726 1/20 0.61
ALDH1A1 P00352 4/20 0.59
HTT P42858 3/20 0.59
MGAM O43451 3/20 0.51
GAA P10253 3/20 0.51
SI P14410 3/20 0.51
MGAM2 Q2M2H8 3/20 0.51
MAPT P10636 6/20 0.50
MIF P14174 2/20 0.50
LMNA P02545 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 3/20 0.47
EGFR P00533 1/20 0.45
MAOB P27338 2/20 0.45
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
HSP90AA1 P07900 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
SCHEMBL5754478 1.00 CYP1A2 (0.61) CYP1A2F3ALDH1A1HTTMGAM
SCHEMBL8883177 0.89 CYP1A2 (0.59) CYP1A2F3ALDH1A1HTTMGAM
SCHEMBL11325775 0.89 CYP1A2 (0.59) CYP1A2F3ALDH1A1HTTMGAM
SCHEMBL5753273 0.82 HSD11B1 (0.64) CYP1A2F3ALDH1A1HTTGAA
SCHEMBL5753271 0.82 HSD11B1 (0.64) CYP1A2F3ALDH1A1HTTGAA
SCHEMBL9427450 0.81 ALDH1A1 (0.62) CYP1A2F3ALDH1A1HTTMGAM
SCHEMBL17580912 0.79 HPGD (0.57) CYP1A2F3ALDH1A1HTTMGAM
SCHEMBL5753412 0.78 CYP1A2 (0.67) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL5753409 0.78 CYP1A2 (0.67) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL5754714 0.77 HSD11B1 (0.62) CYP1A2F3ALDH1A1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485351-A4 PROCESS FOR THE MANUFACTURE OF OPTICALLY ACTIVE 3-SUBSTITUTED LACTAMS BY ASYMMETRIC HYDROGENATION OF 3-ALKYLIDENELACTAMS BRISTOL MYERS SQUIBB CO (US) 2006-05-03 EP disclosed
US-7015320-B2 Process for the manufacture of optically active 3-substituted lactams by asymmetric hydrogenation of 3-alkylidenelactams BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-21 US disclosed
EP-1485351-A2 PROCESS FOR THE MANUFACTURE OF OPTICALLY ACTIVE 3-SUBSTITUTED LACTAMS BY ASYMMETRIC HYDROGENATION OF 3-ALKYLIDENELACTAMS Bristol-Myers Squibb Company (US) 2004-12-15 EP disclosed
US-20040010139-A1 Process for the manufacture of optically active 3-substituted lactams by asymmetric hydrogenation of 3-alkylidenelactams BRISTOL-MYERS SQUIBB COMPANY 2004-01-15 US disclosed
WO-2003079975-A2 PROCESS FOR THE MANUFACTURE OF OPTICALLY ACTIVE 3-SUBSTITUTED LACTAMS BY ASYMMETRIC HYDROGENATION OF 3-ALKYLIDENELACTAMS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-02 WO 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-20040010139-A1 Process for the manufacture of optically active 3-substituted lactams by asymmetric hydrogenation of 3-alkylidenelactams MRPL21, LAS1L, OXA1L CYP1A2 1053/4885F3 983/4885ALDH1A1 1402/4885

“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.