SCHEMBL5124483

SCHEMBL5124483

CN1CCn2c(c(O)c3c2C(C(=O)C2CNCCO2)CN(Cc2ccc(F)c(Cl)c2)C3=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.35
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.33
GRM2 Q14416 1/20 0.33
SLC6A4 P31645 6/20 0.32
SLC6A3 Q01959 4/20 0.32
SLC6A9 P48067 1/20 0.31
KCNH2 Q12809 1/20 0.31
SOS1 Q07889 1/20 0.31
TNIK Q9UKE5 1/20 0.31
PDE1B Q01064 1/20 0.31

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
SCHEMBL4750176 0.83 KCNH2 (0.35) DRD4GRM2KCNH2
SCHEMBL4748752 0.83 ALDH1A1 (0.37) DRD4HTR2AGRM2TNIK
SCHEMBL14034169 0.83 GRM2 (0.35) DRD4HTR2AGRM2SLC6A9KCNH2
SCHEMBL5124478 0.82 GRM2 (0.35) DRD4HTR2AGRM2
SCHEMBL4747160 0.75 FSCN1 (0.37) SLC6A2SLC6A4SLC6A9KCNH2
SCHEMBL4747039 0.73 MEN1 (0.38)
SCHEMBL14033586 0.73 HTT (0.35) GRM2KCNH2
SCHEMBL5114547 0.71 MCHR1 (0.35)
SCHEMBL4746413 0.69 CYP2D6 (0.38) GRM2KCNH2
SCHEMBL1338219 0.68 AKR1B1 (0.37) HTR2AGRM2KCNH2TNIK

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-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US claimed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 US claimed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-04-26 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-20070093496-A1 Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors DHPS, DPYD, TYMP SLC6A2 4293/4885DRD4 700/4885HTR2A 1944/4885

“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.