SCHEMBL1366963

SCHEMBL1366963

COc1cccc(OC)c1CN1CCC(NC(=O)c2cnc(-c3ccccc3)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.57
ACHE P22303 2/20 0.55
BCHE P06276 1/20 0.55
PRKAA2 P54646 2/20 0.53
PRKAB2 O43741 1/20 0.53
PRKAG1 P54619 1/20 0.53
PRKAA1 Q13131 1/20 0.53
PRKAG3 Q9UGI9 1/20 0.53
PRKAG2 Q9UGJ0 1/20 0.53
PRKAB1 Q9Y478 1/20 0.53
MCHR1 Q99705 4/20 0.53
SSTR5 P35346 4/20 0.52
DRD3 P35462 1/20 0.51
RAB9A P51151 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
HPGDS O60760 2/20 0.49
GABRA5 P31644 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL1366639 0.87 SLC6A12 (0.57) SLC6A12ACHEMCHR1SSTR5DRD3
SCHEMBL1364526 0.86 SLC6A12 (0.56) SLC6A12ACHEMCHR1DRD3MEN1
SCHEMBL1366534 0.83 PRKAA2 (0.75) SLC6A12ACHEBCHEPRKAA2PRKAB2
SCHEMBL1366727 0.80 CARM1 (0.58) ACHEBCHEPRKAA2PRKAB2PRKAG1
SCHEMBL1367196 0.79 DRD4 (0.67) ACHEBCHEPRKAA2PRKAB2PRKAG1
SCHEMBL1366200 0.79 HPGDS (0.54) ACHEBCHEPRKAA2PRKAB2PRKAG1
SCHEMBL2073556 0.79 HPGDS (0.67) ACHEMCHR1SSTR5HPGDS
SCHEMBL4636340 0.78 GABRA5 (0.55) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1368221 0.78 DRD4 (0.60) SLC6A12ACHEBCHEPRKAA2PRKAB2
SCHEMBL10251883 0.78 CXCR4 (0.74) SLC6A12ACHEBCHEPRKAA2PRKAB2

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 SLC6A12 3147/4885ACHE 602/4885BCHE 624/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S SLC6A12 3147/4885ACHE 602/4885BCHE 624/4885

“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.