SCHEMBL1367099

SCHEMBL1367099

O=C(NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.61
HPGDS O60760 1/20 0.60
SLC6A5 Q9Y345 2/20 0.58
DRD2 P14416 3/20 0.58
HTR2A P28223 2/20 0.57
CCR3 P51677 3/20 0.55
SIGMAR1 Q99720 3/20 0.54
MCHR1 Q99705 2/20 0.54
SLC6A12 P48065 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
UBE2M P61081 1/20 0.53
DCUN1D1 Q96GG9 1/20 0.53
SSTR5 P35346 1/20 0.53
TEAD1 P28347 1/20 0.52
PRKAA2 P54646 1/20 0.52

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 0.92 CCR3 (0.63) DRD4HPGDSDRD2CCR3SIGMAR1
SCHEMBL1366085 0.89 CCR3 (0.61) DRD4HPGDSDRD2CCR3SIGMAR1
SCHEMBL1364918 0.89 DRD4 (0.58) DRD4HPGDSSLC6A5DRD2HTR2A
SCHEMBL1365988 0.89 HPGDS (0.57) DRD4HPGDSDRD2CCR3SIGMAR1
SCHEMBL347916 0.85 HPGDS (0.80) DRD4HPGDSDRD2CCR3
SCHEMBL1365865 0.84 DRD2 (0.77) DRD4HPGDSDRD2HTR2ASIGMAR1
SCHEMBL1367102 0.82 ALDH1A1 (0.59) DRD4HPGDSDRD2CCR3SIGMAR1
SCHEMBL1365939 0.82 HPGDS (0.61) DRD4HPGDSDRD2CCR3MCHR1
SCHEMBL1366874 0.81 DRD4 (0.62) DRD4HPGDSDRD2CCR3SIGMAR1
SCHEMBL1365745 0.81 DRD4 (0.60) DRD4HPGDSDRD2CCR3SIGMAR1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 4232/4885HPGDS 99/4885SLC6A5 3278/4885

“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.