SCHEMBL1366028

SCHEMBL1366028

O=C(NC1CCN(Cc2ccccn2)CC1)c1cnc(-c2cc(F)ccc2F)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.61
OPRM1 P35372 1/20 0.52
MCHR1 Q99705 5/20 0.50
CCR3 P51677 4/20 0.50
SIGMAR1 Q99720 3/20 0.50
SLC6A12 P48065 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ACKR3 P25106 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
SCHEMBL1366148 0.91 DRD4 (0.59) DRD4OPRM1MCHR1CCR3SIGMAR1
SCHEMBL1367375 0.91 DRD4 (0.63) DRD4OPRM1MCHR1SIGMAR1SLC6A12
SCHEMBL1366874 0.86 DRD4 (0.62) DRD4OPRM1MCHR1CCR3SIGMAR1
SCHEMBL1366870 0.86 DRD4 (0.60) DRD4OPRM1MCHR1SIGMAR1SLC6A12
SCHEMBL1368221 0.84 DRD4 (0.60) DRD4OPRM1MCHR1SIGMAR1SLC6A12
SCHEMBL1364520 0.84 DRD4 (0.64) DRD4OPRM1SIGMAR1PRKAB2PRKAG1
SCHEMBL1366608 0.83 DRD4 (0.63) DRD4OPRM1SIGMAR1PRKAB2PRKAG1
SCHEMBL1367020 0.83 DRD4 (0.63) DRD4SIGMAR1PRKAB2PRKAG1PRKAA2
SCHEMBL1366040 0.83 DRD4 (0.58) DRD4OPRM1MCHR1SIGMAR1SLC6A12
SCHEMBL1367196 0.82 DRD4 (0.67) DRD4SIGMAR1PRKAB2PRKAG1PRKAA2

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 4232/4885OPRM1 1987/4885MCHR1 1608/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S DRD4 4232/4885OPRM1 1987/4885MCHR1 1608/4885

“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.