SCHEMBL4397841

SCHEMBL4397841

CCC(C#N)(CCCCc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LTB4R Q15722 2/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 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
SCHEMBL22728409 0.76 SIGMAR1 (0.43) ADRA1ASLC6A3MEN1KMT2AEBP
SCHEMBL9614706 0.76 MAPT (0.49) GRM2GRM3MAPTRXFP1LTB4R
SCHEMBL8336738 0.76 CES2 (0.39) HDAC11MEN1KMT2A
SCHEMBL28206356 0.75 LTB4R (0.48) GRM2GRM3MAPTRXFP1LTB4R
SCHEMBL16673460 0.74 ALDH1A1 (0.41) GRM2GRM3MAPTHDAC1HDAC3
SCHEMBL8169601 0.73 CTSL (0.40) POLBCYP1A2
SCHEMBL5619673 0.73 MAPT (0.52) GRM2GRM3MAPTRXFP1LTB4R
SCHEMBL28303471 0.73 MAPT (0.52) GRM2GRM3MAPTRXFP1LTB4R
SCHEMBL9554357 0.72 SMN1; SMN2 (0.52) SMN1; SMN2CES1CYP1A2FDPS
SCHEMBL5051285 0.72 SMN1; SMN2 (0.41) HDAC1HDAC3HDAC4SMN1; SMN2HDAC7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553809-B2 Fc receptor modulators and uses thereof ILEXUS PTY LIMITED (AU) 2009-06-30 US disclosed
US-20060057144-A1 Fc receptor modulators and uses thereof ILEXUS PTY LIMITED (AU) 2006-03-16 US disclosed
US-6835753-B2 Administering to the patient for inhibiting Fc receptor binding of immunoglobulin a compound selected from aromatic, heteroaromatic, cyclic, bicyclic and an amino acid derivative or salt ILEXUS PTY LIMITED (AU) 2004-12-28 US disclosed
EP-1109545-A4 Fc RECEPTOR MODULATORS AND USES THEREOF ILEXUS PTY LTD (AU) 2004-11-10 EP disclosed
US-20020061844-A1 Administering to the patient for inhibiting Fc receptor binding of immunoglobulin a compound selected from aromatic, heteroaromatic, cyclic, bicyclic and an amino acid derivative or salt ILEXUS PTY LIMITED 2002-05-23 US disclosed
US-6355683-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE ILEXUS PTY LIMITED (AU) 2002-03-12 US disclosed
EP-1109545-A1 Fc RECEPTOR MODULATORS AND USES THEREOF ILEXUS PTY LTD (AU) 2001-06-27 EP disclosed
WO-2000015214-A1 Fc RECEPTOR MODULATORS AND USES THEREOF ILEXUS PTY LIMITED (US) 2000-03-23 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 (2 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-20020061844-A1 Administering to the patient for inhibiting Fc receptor binding of immunoglobulin a compound selected from aromatic, heteroaromatic, cyclic, bicyclic and an amino acid derivative or salt FCGR2A, FCGR1A, FCER2 GRM2 586/4885GRM3 506/4885MAPT 3812/4885
US-20060057144-A1 Fc receptor modulators and uses thereof FCGR1A, FCER2, FCGR2A GRM2 391/4885GRM3 398/4885MAPT 4230/4885

“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.