SCHEMBL5755256

SCHEMBL5755256

O=C1NCCCCC1Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.46
PSEN2 P49810 3/20 0.46
APH1B Q8WW43 3/20 0.46
NCSTN Q92542 3/20 0.46
APH1A Q96BI3 3/20 0.46
PSENEN Q9NZ42 3/20 0.46
CTSD P07339 1/20 0.43
MERTK Q12866 5/20 0.41
GHSR Q92847 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
AXL P30530 1/20 0.40
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 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
SCHEMBL5753552 0.95 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6104351 0.95 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3051430 0.89 ALDH1A1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31300159 0.84 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2729166 0.84 DDB1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28025688 0.81 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27551339 0.80 EPHX1 (0.40) ALDH1A1POLBGAACRBNLMNA
SCHEMBL31296370 0.79 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5753870 0.79 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5755963 0.79 DDB1 (0.57) CTSDPOLBDDB1CRBN

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 PSEN1 3596/4885PSEN2 4132/4885APH1B 796/4885

“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.