SCHEMBL1366085

SCHEMBL1366085

O=C(NC1CCN(Cc2cccc(F)c2)CC1)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.61
SIGMAR1 Q99720 6/20 0.61
DRD2 P14416 1/20 0.61
DRD4 P21917 1/20 0.61
HPGDS O60760 1/20 0.60
MCHR1 Q99705 5/20 0.57
SLC6A12 P48065 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
PRKAA2 P54646 2/20 0.57
PRKAB2 O43741 1/20 0.57
PRKAG1 P54619 1/20 0.57
PRKAA1 Q13131 1/20 0.57
PRKAG3 Q9UGI9 1/20 0.57
PRKAG2 Q9UGJ0 1/20 0.57
PRKAB1 Q9Y478 1/20 0.57
KCNH2 Q12809 1/20 0.55

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
SCHEMBL1364288 0.93 CCR3 (0.63) CCR3SIGMAR1DRD2DRD4HPGDS
SCHEMBL1365865 0.89 DRD2 (0.77) SIGMAR1DRD2DRD4HPGDSMCHR1
SCHEMBL1367099 0.89 DRD4 (0.61) CCR3SIGMAR1DRD2DRD4HPGDS
SCHEMBL1365988 0.88 HPGDS (0.57) CCR3SIGMAR1DRD2DRD4HPGDS
SCHEMBL1367102 0.87 ALDH1A1 (0.59) CCR3SIGMAR1DRD2DRD4HPGDS
SCHEMBL2073034 0.87 HPGDS (0.70) CCR3SIGMAR1DRD2DRD4HPGDS
SCHEMBL1365939 0.87 HPGDS (0.61) CCR3DRD2DRD4HPGDSMCHR1
SCHEMBL1366874 0.86 DRD4 (0.62) CCR3SIGMAR1DRD2DRD4HPGDS
SCHEMBL1364918 0.86 DRD4 (0.58) CCR3DRD2DRD4HPGDSMCHR1
SCHEMBL347916 0.86 HPGDS (0.80) CCR3DRD2DRD4HPGDS

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 CCR3 440/4885SIGMAR1 2465/4885DRD2 4108/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S CCR3 440/4885SIGMAR1 2465/4885DRD2 4108/4885

“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.