SCHEMBL3989585

SCHEMBL3989585

CN1CCn2c(c(O)c3c(=O)n(Cc4ccc(F)cc4)nc(CN4CCCC4)c32)C1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
MCHR1 Q99705 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CSNK1D P48730 2/20 0.34
CSNK1E P49674 2/20 0.34
HTR2C P28335 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA1B P35368 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33

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
SCHEMBL1385524 0.92 CNR2 (0.40) PKMPKLRSIGMAR1HRH3ALDH1A1
SCHEMBL1383893 0.90 PKM (0.37) PKMPKLRNPSR1TMEM97SIGMAR1
SCHEMBL3985794 0.90 PKM (0.37) PKMPKLRTMEM97SIGMAR1ADRA1A
SCHEMBL3987278 0.89 L3MBTL1 (0.34) PKMPKLRNPSR1TMEM97SIGMAR1
SCHEMBL3983941 0.88 ADRA1A (0.35) PKMPKLRADRA1AHRH1ADRA1B
SCHEMBL1386820 0.87 TMEM97 (0.32) PKMPKLRNPSR1TMEM97SIGMAR1
SCHEMBL1386822 0.87 GRM2 (0.35) PKMPKLRNPSR1TMEM97SIGMAR1
SCHEMBL3985379 0.87 PKM (0.35) PKMPKLRNPSR1TMEM97SIGMAR1
SCHEMBL3985851 0.86 KCNH2 (0.36) PKMPKLRTMEM97SIGMAR1MEN1
SCHEMBL3984969 0.86 PKM (0.38) PKMPKLRNPSR1TMEM97SIGMAR1

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-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP PKM 1268/4885PKLR 519/4885MCHR1 3604/4885

“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.