SCHEMBL5752284

SCHEMBL5752284

O=C1NCCC1=Cc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.61
IKBKB O14920 1/20 0.58
PIM1 P11309 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
METAP1 P53582 2/20 0.49
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NAT1 P18440 1/20 0.46
PARP1 P09874 2/20 0.46
PARP10 Q53GL7 1/20 0.46
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
XBP1 P17861 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE4B Q07343 1/20 0.44
EGFR P00533 1/20 0.43
GRM5 P41594 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
SCHEMBL8828528 1.00 HSD11B1 (0.61) HSD11B1IKBKBPIM1PIM2METAP1
SCHEMBL5752280 1.00 HSD11B1 (0.61) HSD11B1IKBKBPIM1PIM2METAP1
SCHEMBL5753273 0.89 HSD11B1 (0.64) HSD11B1IKBKBPIM1PIM2METAP1
SCHEMBL5753271 0.89 HSD11B1 (0.64) HSD11B1IKBKBPIM1PIM2METAP1
SCHEMBL5754714 0.88 HSD11B1 (0.62) HSD11B1IKBKBPIM1PIM2METAP1
SCHEMBL11325672 0.81 AKR1C3 (0.56) PIM1PIM2NPC1NAT1PARP1
SCHEMBL15828902 0.81 KMT2A (0.58) HSD11B1PIM1PIM2NPC1ALDH1A1
SCHEMBL11325775 0.81 CYP1A2 (0.59) PIM1PIM2NPC1ALDH1A1NAT1
SCHEMBL8883177 0.81 CYP1A2 (0.59) PIM1PIM2NPC1ALDH1A1NAT1
SCHEMBL9139338 0.79 MIF (0.48) HSD11B1PARP1MEN1MAPTKMT2A

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 2837/4885PIM1 1965/4885

“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.