SCHEMBL5216672

SCHEMBL5216672

C[C@@H](C(=O)Nc1ccncn1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.48
PSEN2 P49810 4/20 0.48
APH1B Q8WW43 4/20 0.48
NCSTN Q92542 4/20 0.48
APH1A Q96BI3 4/20 0.48
PSENEN Q9NZ42 4/20 0.48
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CCNA1 P78396 2/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK14 Q16539 1/20 0.43
CDK7 P50613 2/20 0.42
CDK13 Q14004 2/20 0.42
CDK12 Q9NYV4 2/20 0.42
JAK2 O60674 2/20 0.41

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
SCHEMBL5254917 1.00 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1820975 0.90 CCNA2 (0.55) CCNA2CDK2CCNA1ALDH1A1MAPT
SCHEMBL1821120 0.85 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12658036 0.76 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27536636 0.76 ALDH1A1 (0.56) ALDH1A1LMNAMAPTPOLBNPC1
SCHEMBL3155546 0.75 MAPK1 (0.66) LMNAMAPTPOLBRAB9ATSHR
SCHEMBL1818867 0.74 CCNA2 (0.55) CCNA2CDK2CCNA1ALDH1A1MAPT
SCHEMBL6794285 0.73 CCNA2 (0.85) CCNA2CDK2CCNA1CDK7CDK13
SCHEMBL2444961 0.73 HIF1A (0.55) ALDH1A1LMNAMAPTPOLBHIF1A
SCHEMBL4763430 0.72 PLK4 (0.59) MAPTPOLBNPC1RAB9AMAPK14

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-1276732-B1 AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION\ DOMPE PHA R MA SPA RES & MFG (IT) 2007-09-26 EP disclosed
US-7217707-B2 Amide of R-2-(aminoaryl)-propionic acid for use in the prevention of leucocyte activation DOMPE S.P.A. (IT) 2007-05-15 US disclosed
US-20040186146-A1 Amide of r-2-(aminoaryl)-propionic acid for use in theprevention of leucocyte activation DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-09-23 US disclosed
EP-1276732-A1 AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION\ Dompé S.P.A. (IT) 2003-01-22 EP disclosed
WO-2001079189-A2 'AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION' Dompé S.p.A. (IT) 2001-10-25 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-20040186146-A1 Amide of r-2-(aminoaryl)-propionic acid for use in theprevention of leucocyte activation MMP8, CXCL8, HCAR2 PSEN1 4769/4885PSEN2 4732/4885APH1B 1969/4885

“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.