SCHEMBL4483183

SCHEMBL4483183

CN(C)C(=O)c1c2c(c(O)c(=O)n1-c1cccc(C#N)c1)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.38
CLPP Q16740 3/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
MCHR1 Q99705 6/20 0.34
PDE5A O76074 1/20 0.34
PDK1 Q15118 1/20 0.33
KEAP1 Q14145 1/20 0.33
P2RX7 Q99572 2/20 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
SCHEMBL4486606 0.92 METAP2 (0.36) METAP2PDE5AP2RX7
SCHEMBL4495051 0.89 MAPK14 (0.35)
SCHEMBL4480319 0.89 AKR1B1 (0.35) CLPP
SCHEMBL4480516 0.85 LMNA (0.35) METAP2
SCHEMBL4484250 0.85 PDK1 (0.34) PDK1
SCHEMBL4478632 0.85 DHPS (0.37) PDK1
SCHEMBL4489427 0.84 AKR1B1 (0.33)
SCHEMBL4487534 0.83 AKR1B1 (0.32)
SCHEMBL4484270 0.83 AKR1B1 (0.32)
SCHEMBL4486052 0.83 METAP2 (0.35) METAP2

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 5 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
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H METAP2 3556/4885CLPP 2918/4885GRIN1 2622/4885

“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.