SCHEMBL1367385

SCHEMBL1367385

CC(C)c1cccc(-c2ncc(C(=O)NC3CCN(C(=O)C(C)(C)C)CC3)cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.42
HPGDS O60760 6/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
USP30 Q70CQ3 3/20 0.40
TSHR P16473 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM5A P29375 2/20 0.39
CYP2C19 P33261 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL1365957 0.86 L3MBTL1 (0.46) HPGDSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1365756 0.86 HPGDS (0.55) DRD4HPGDSMEN1KMT2ADRD2
SCHEMBL1364287 0.86 SMYD3 (0.46) HPGDSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1367699 0.85 HPGDS (0.47) HPGDSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1367288 0.84 PHGDH (0.49) DRD4HPGDSMEN1KMT2ACYP2C19
SCHEMBL1364494 0.83 HPGDS (0.61) HPGDSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1367323 0.83 HPGDS (0.51) HPGDSPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1366634 0.79 DRD4 (0.62) DRD4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL12142268 0.77 SMYD3 (0.53) DRD4HPGDSPRKAB2PRKAG1PRKAA2
SCHEMBL1367211 0.76 MEN1 (0.47) HPGDSPRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S DRD4 4232/4885HPGDS 99/4885PRKAB2 4386/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S DRD4 4232/4885HPGDS 99/4885PRKAB2 4386/4885

“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.