Sugi Predict

Sugi Predict / Compounds / SCHEMBL1336152

SCHEMBL1336152

SCHEMBL1336152

COc1c2c(c3n(c1=O)CCC(O)CN(C)C3=O)CCN(Cc1ccc(F)c(Cl)c1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.36
▸ P2RX7 Q99572 3/20 0.34
▸ EZH2 Q15910 3/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ WDR5 P61964 1/20 0.32
▸ PREP P48147 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 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
SCHEMBL1335940 0.90 HTR2A (0.35) OPRK1EZH2HTR2AGRM2DRD4
SCHEMBL1338248 0.88 SIGMAR1 (0.33) P2RX7HTR2AGRM2DRD4PREP
SCHEMBL14007686 0.87 HTR2A (0.32) P2RX7EZH2HTR2AGRM2DRD4
SCHEMBL1337786 0.87 MAOB (0.36) P2RX7EZH2AKR1B1WDR5
SCHEMBL2028051 0.85 WDR5 (0.35) P2RX7EZH2HTR2AGRM2DRD4
SCHEMBL1337776 0.83 OPRK1 (0.36) OPRK1EZH2HTR2AGRM2AKR1B1
SCHEMBL1335863 0.82 MAOB (0.36) P2RX7AKR1B1WDR5PREP
SCHEMBL1338071 0.81 GRM2 (0.36) HTR2AGRM2DRD4AKR1B1WDR5
SCHEMBL14007690 0.80 P2RX3 (0.32) P2RX7EZH2HTR2AGRM2DRD4
SCHEMBL3615763 0.80 P2RX3 (0.32) P2RX7EZH2HTR2AGRM2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881825-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2013-07-24 — — EP disclosed
US-20130178468-A1 HIV INTEGRASE INHIBITORS VACCA JOSEPH P (US) 2013-07-11 — — US disclosed
US-8293731-B2 HIV integrase inhibitors Merck Sharp + Dohme Corp. (US) 2012-10-23 — — US disclosed
US-20110275621-A1 HIV INTEGRASE INHIBITORS SCHERING CORPORATION 2011-11-10 — — US disclosed
US-7968564-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-06-28 — — US disclosed
US-20100204201-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-08-12 — — US disclosed
US-7741315-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-22 — — US disclosed
US-20090054399-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-02-26 — — 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 (4 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-20090054399-A1 HIV INTEGRASE INHIBITORS REV1, POLR1A, POLR2H OPRK1 1846/4885P2RX7 3897/4885EZH2 1889/4885
US-20100204201-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI OPRK1 1828/4885P2RX7 4051/4885EZH2 1938/4885
US-20130178468-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI OPRK1 1828/4885P2RX7 4051/4885EZH2 1938/4885
US-20110275621-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI OPRK1 1828/4885P2RX7 4051/4885EZH2 1938/4885

“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.