SCHEMBL3844081

SCHEMBL3844081

NCCNC(Cc1ncc[nH]1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.48
CPB1 P15086 1/20 0.46
GGT1 P19440 1/20 0.41
TBXAS1 P24557 2/20 0.39
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TERT O14746 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
FDPS P14324 1/20 0.34
FPR2 P25090 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34

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
SCHEMBL3839708 1.00 CPB2 (0.48) CPB2CPB1GGT1TBXAS1GAA
SCHEMBL18845468 0.81 PIN1 (0.46) TBXAS1GAASMN1; SMN2
SCHEMBL4688926 0.79 TBXAS1 (0.43) TBXAS1GAASMN1; SMN2TERTTAAR1
SCHEMBL4688922 0.79 TBXAS1 (0.43) TBXAS1GAASMN1; SMN2TERTTAAR1
SCHEMBL3845409 0.77 MEN1 (0.42) GAA
SCHEMBL15127687 0.74 TBXAS1 (0.39) TBXAS1GAASMN1; SMN2TAAR1
SCHEMBL24834446 0.73 GRIA2 (0.51) TBXAS1TAAR1FDPSFPR2GRIA1
SCHEMBL781663 0.73 GRIA2 (0.51) TBXAS1TAAR1FDPSFPR2GRIA1
SCHEMBL3838965 0.73 GRIA2 (0.51) TBXAS1TAAR1FDPSFPR2GRIA1
SCHEMBL30037960 0.73 TBXAS1 (0.45) TBXAS1TERTFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed
US-6949577-B2 Pharmaceuticals PFIZER, INC. (US) 2005-09-27 US disclosed
US-20030236420-A1 Pharmaceuticals ALLERTON CHARLOTTE MOIRA NORFO (GB) 2003-12-25 US disclosed
CN-1443173-A Substituted imidazoles as TAFI a inhibitors PFIZER LTD (US) 2003-09-17 CN disclosed
US-20020147229-A1 Pharmaceuticals PFIZER INC. 2002-10-10 US 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-20020147229-A1 Pharmaceuticals BDKRB1, TFPI, BDKRB2 CPB2 234/4885CPB1 168/4885GGT1 1034/4885
US-20030236420-A1 Pharmaceuticals BDKRB1, TFPI, SERPINE1 CPB2 167/4885CPB1 181/4885GGT1 992/4885

“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.