SCHEMBL4222280

SCHEMBL4222280

CC(C)CCNC(=O)C(Nc1ccc(C#N)cn1)(c1ccccc1)C(F)(F)C(=O)OF

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
GRM5 P41594 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.35
IRAK4 Q9NWZ3 6/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
EP300 Q09472 3/20 0.34
NAMPT P43490 1/20 0.33
CTSL P07711 1/20 0.33
CCNK O75909 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK12 Q9NYV4 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
SCHEMBL4237398 0.88 ABCB1 (0.42) HPGDEP300CCNKCCNA2CDK2
SCHEMBL4227771 0.82 CCNK (0.40) CNR2HCRTR1HCRTR2SMN1; SMN2CCNK
SCHEMBL4228168 0.73 CCR6 (0.40) IRAK4
Trifluoroacetic Acid SCHEMBL4222279 0.71 EP300 (0.43) EP300
SCHEMBL4232751 0.69
SCHEMBL4233785 0.66 MTNR1A (0.52) HPGDHTTSMN1; SMN2
SCHEMBL22311334 0.63 CNR1 (0.50) CNR1CNR2HPGDHTTSMN1; SMN2
SCHEMBL25549420 0.63 CNR1 (0.50) CNR1CNR2HPGDHTTSMN1; SMN2
SCHEMBL25442168 0.62 CNR1 (0.75) CNR1CNR2HPGDHTTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL3607735 0.61 HCAR3 (0.43) IRAK4DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096104-A1 Organic diamines as mGluR7 modulators Novartis AG (CH) 2009-09-02 EP disclosed
US-20080242698-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 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-20080242698-A1 Organic Compounds AOC1, OTC, ODC1 CNR1 3533/4885CNR2 2744/4885GRM5 963/4885

“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.