SCHEMBL5753271

SCHEMBL5753271

O=C1NCCC/C1=C/c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.64
IKBKB O14920 1/20 0.54
NPC1 O15118 4/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PIM1 P11309 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
EGFR P00533 1/20 0.48
METAP1 P53582 2/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
XBP1 P17861 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
NAT1 P18440 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL5753273 1.00 HSD11B1 (0.64) HSD11B1IKBKBNPC1ALDH1A1GAA
SCHEMBL5754714 0.95 HSD11B1 (0.62) HSD11B1IKBKBNPC1ALDH1A1GAA
SCHEMBL5752284 0.89 HSD11B1 (0.61) HSD11B1IKBKBNPC1ALDH1A1PIM1
SCHEMBL8828528 0.89 HSD11B1 (0.61) HSD11B1IKBKBNPC1ALDH1A1PIM1
SCHEMBL5752280 0.89 HSD11B1 (0.61) HSD11B1IKBKBNPC1ALDH1A1PIM1
SCHEMBL28666958 0.83 HSD11B1 (0.54) HSD11B1IKBKBNPC1ALDH1A1GAA
SCHEMBL5754475 0.82 CYP1A2 (0.61) NPC1ALDH1A1GAAPIM1PIM2
SCHEMBL5754478 0.82 CYP1A2 (0.61) NPC1ALDH1A1GAAPIM1PIM2
SCHEMBL5753409 0.79 CYP1A2 (0.67) NPC1ALDH1A1L3MBTL1PIM1PIM2
SCHEMBL5753412 0.79 CYP1A2 (0.67) NPC1ALDH1A1L3MBTL1PIM1PIM2

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 HSD11B1 1362/4885IKBKB 2837/4885NPC1 3696/4885

“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.