SCHEMBL1364574

SCHEMBL1364574

O=C(NC1CCN(Cc2ccccn2)CC1)c1cnc(-c2cccc(Cl)c2)nc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.62
NPC1 O15118 1/20 0.53
SIGMAR1 Q99720 2/20 0.52
PRKAA2 P54646 2/20 0.51
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
MCHR1 Q99705 3/20 0.50
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CXCR4 P61073 1/20 0.47

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
SCHEMBL1366251 0.90 DRD4 (0.63) DRD4SIGMAR1PRKAA2PRKAB2PRKAG1
SCHEMBL1367196 0.89 DRD4 (0.67) DRD4SIGMAR1PRKAA2PRKAB2PRKAG1
SCHEMBL1366874 0.89 DRD4 (0.62) DRD4SIGMAR1PRKAA2PRKAB2PRKAG1
SCHEMBL1366632 0.88 DRD4 (0.61) DRD4NPC1SIGMAR1PRKAA2PRKAB2
SCHEMBL1364502 0.88 DRD4 (0.61) DRD4SIGMAR1PRKAA2PRKAB2PRKAG1
SCHEMBL1364455 0.86 DRD4 (0.59) DRD4SIGMAR1PRKAA2PRKAB2PRKAG1
SCHEMBL1366634 0.86 DRD4 (0.62) DRD4SIGMAR1PRKAA2PRKAB2PRKAG1
SCHEMBL1366591 0.86 DRD4 (0.59) DRD4SIGMAR1PRKAA2PRKAB2PRKAG1
SCHEMBL1367324 0.86 DRD4 (0.59) DRD4SIGMAR1PRKAA2PRKAB2PRKAG1
SCHEMBL1365616 0.85 DRD4 (0.58) DRD4SIGMAR1PRKAA2PRKAB2PRKAG1

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 4232/4885NPC1 168/4885SIGMAR1 2465/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S DRD4 4232/4885NPC1 168/4885SIGMAR1 2465/4885

“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.