SCHEMBL5452423

SCHEMBL5452423

CN(C)C(=O)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(F)c(C(F)(F)F)c1)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.36
AR P10275 1/20 0.36
PCSK9 Q8NBP7 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
SLC6A9 P48067 3/20 0.33
KCNH2 Q12809 3/20 0.33
GPR183 P32249 1/20 0.33
KDR P35968 1/20 0.33
AKR1B1 P15121 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CYP3A4 P08684 2/20 0.33
GPR52 Q9Y2T5 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
PREP P48147 2/20 0.33
TACR2 P21452 1/20 0.32

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
SCHEMBL5437421 0.90 AKR1B1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5451480 0.88 CCR3 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31060990 0.88 AKR1B1 (0.36) KCNH2AKR1B1
SCHEMBL4479511 0.88 AKR1B1 (0.36) KCNH2AKR1B1
SCHEMBL4488414 0.87 AKR1B1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5438067 0.86 EGLN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5457538 0.86 MMP10 (0.35) PTGDR2GPR52
SCHEMBL13672777 0.85 AKR1B1 (0.41) AKR1B1
SCHEMBL5438070 0.85 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5450208 0.84 EGLN1 (0.37) P2RX7AKR1B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US claimed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO claimed

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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H P2RX7 3818/4885AR 1902/4885PCSK9 3007/4885

“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.