SCHEMBL4522607

SCHEMBL4522607

CC(C)(C)C1CN(c2ncc(-c3nn[nH]n3)cc2Cl)CCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.44
SLC6A7 Q99884 1/20 0.39
XDH P47989 2/20 0.38
FTO Q9C0B1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
HSD11B1 P28845 1/20 0.34
PIK3CD O00329 1/20 0.34
MAPT P10636 2/20 0.33
P2RY12 Q9H244 2/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HPGDS O60760 1/20 0.33
MLYCD O95822 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL4109478 0.82 XDH (0.44) CXCR3XDHFTOSMN1; SMN2MAPT
SCHEMBL4508778 0.79 NPY2R (0.38) CXCR3SLC6A7LMNAMAPTP2RY12
SCHEMBL16496558 0.77 GRM1 (0.34) SLC6A7
SCHEMBL4508825 0.76 GRM4 (0.42) CXCR3SLC6A7SMN1; SMN2LMNA
SCHEMBL4106693 0.76 NR1H2 (0.49) CXCR3
SCHEMBL4499790 0.76 P2RY12 (0.47) CXCR3SLC6A7P2RY12
SCHEMBL15992798 0.76 SMN1; SMN2 (0.36) SLC6A7SMN1; SMN2LMNAKDM4CMAPT
SCHEMBL15992614 0.75 TRPV1 (0.40) CXCR3SLC6A7SMN1; SMN2LMNAP2RY12
Trifluoroacetic Acid SCHEMBL4514310 0.73 SLC2A1 (0.35) CXCR3SMN1; SMN2LMNA
SCHEMBL5599292 0.73 NR1H2 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 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 (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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 CXCR3 962/4885SLC6A7 3880/4885XDH 425/4885

“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.