SCHEMBL1366040

SCHEMBL1366040

O=C(NC1CCN(Cc2ccccn2)CC1)c1cnc(-c2ccccc2OC(F)(F)F)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.58
CHRM2 P08172 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
SIGMAR1 Q99720 2/20 0.48
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
OPRM1 P35372 1/20 0.47
HPGDS O60760 3/20 0.46
RAB9A P51151 1/20 0.46
EPHX2 P34913 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A12 P48065 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL1368221 0.89 DRD4 (0.60) DRD4CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL1364436 0.87 DRD4 (0.60) DRD4CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL1367375 0.86 DRD4 (0.63) DRD4CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL1367141 0.86 HPGDS (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1364520 0.85 DRD4 (0.64) DRD4CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL1366709 0.84 DRD4 (0.59) DRD4CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL1367020 0.84 DRD4 (0.63) DRD4CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL1366608 0.84 DRD4 (0.63) DRD4CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL1366870 0.83 DRD4 (0.60) DRD4CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL1366584 0.83 DRD4 (0.62) DRD4CHRM2CHRM1CHRM3SIGMAR1

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 4232/4885CHRM2 872/4885CHRM1 1122/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S DRD4 4232/4885CHRM2 872/4885CHRM1 1122/4885

“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.