SCHEMBL5221579

SCHEMBL5221579

C[C@@H](C(=O)Nc1cnccn1)c1ccc(CNN2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.44
CASR P41180 1/20 0.43
CDK7 P50613 3/20 0.43
CDK13 Q14004 3/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39
ACACB O00763 1/20 0.39
ALK Q9UM73 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
MAPT P10636 1/20 0.38
GSK3B P49841 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL5221575 0.81 FFAR2 (0.47) FFAR2CASRCDK7CDK13GAA
SCHEMBL3147602 0.77 RAB9A (0.66) FFAR2GAATHRBRAB9ANPC1
SCHEMBL1818867 0.76 CCNA2 (0.55) FFAR2CDK7CDK13GAATHRB
SCHEMBL5254917 0.68 PSEN1 (0.48) CDK7CDK13RAB9ANPC1POLB
SCHEMBL5216672 0.68 PSEN1 (0.48) CDK7CDK13RAB9ANPC1POLB
SCHEMBL1819292 0.68 KMT2A (0.51) FFAR2GAATHRBRAB9ANPC1
SCHEMBL13057030 0.65 FFAR2 (0.58) FFAR2GAATHRBRAB9ANPC1
SCHEMBL21580323 0.63 FFAR2 (0.56) FFAR2GAATHRBRAB9ANPC1
SCHEMBL2649860 0.63 GCK (0.68)
SCHEMBL13255711 0.62 FFAR2 (0.55) FFAR2GAATHRBRAB9ANPC1

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 FFAR2 66/4885CASR 3050/4885CDK7 3335/4885

“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.