SCHEMBL5221575

SCHEMBL5221575

C[C@@H](C(=O)Nc1cnccn1)c1ccc(C(N)N2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.47
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
CASR P41180 1/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 1/20 0.41
TRPV4 Q9HBA0 1/20 0.38
ALDH1A1 P00352 2/20 0.38
RIOK2 Q9BVS4 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GSK3B P49841 2/20 0.38
MAPT P10636 1/20 0.38
DYRK1A Q13627 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 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
SCHEMBL5221579 0.81 FFAR2 (0.44) FFAR2RAB9ANPC1CASRGAA
SCHEMBL1818867 0.78 CCNA2 (0.55) FFAR2RAB9ANPC1GAATHRB
SCHEMBL3147602 0.72 RAB9A (0.66) FFAR2RAB9ANPC1GAATHRB
SCHEMBL21580323 0.70 FFAR2 (0.56) FFAR2RAB9ANPC1GAATHRB
SCHEMBL5216672 0.70 PSEN1 (0.48) RAB9ANPC1POLBALDH1A1TSHR
SCHEMBL5254917 0.70 PSEN1 (0.48) RAB9ANPC1POLBALDH1A1TSHR
SCHEMBL1819292 0.70 KMT2A (0.51) FFAR2RAB9ANPC1GAATHRB
Hydrochloric Acid SCHEMBL5042270 0.69 FFAR2 (0.55) FFAR2RAB9ANPC1GAATHRB
SCHEMBL13229741 0.68 FFAR2 (0.57) FFAR2RAB9ANPC1GAATHRB
SCHEMBL13057030 0.67 FFAR2 (0.58) FFAR2RAB9ANPC1GAATHRB

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 66/4885RAB9A 1051/4885NPC1 1234/4885

“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.