SCHEMBL1338058

SCHEMBL1338058

CN1CCCn2c(c3c(c(O)c2=O)C(=O)N(Cc2ccc(F)c(Cl)c2)CC3)C1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.38
AKR1B1 P15121 1/20 0.36
ADORA2A P29274 3/20 0.34
WDR5 P61964 1/20 0.33
HTR2A P28223 1/20 0.33
GRM2 Q14416 1/20 0.33
DAO P14920 1/20 0.33
PIK3CA P42336 1/20 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
SCHEMBL1338281 0.98 AKR1B1 (0.36) MAOBAKR1B1ADORA2AWDR5HTR2A
SCHEMBL1338219 0.94 AKR1B1 (0.37) MAOBAKR1B1WDR5HTR2AGRM2
SCHEMBL2028235 0.89 AKR1B1 (0.35) MAOBAKR1B1WDR5HTR2AGRM2
SCHEMBL12580701 0.89 AKR1B1 (0.41) AKR1B1GRM2
SCHEMBL13311352 0.89 AKR1B1 (0.36) MAOBAKR1B1ADORA2AWDR5
SCHEMBL1335826 0.88 ALDH1A1 (0.39) MAOBAKR1B1ADORA2AWDR5
SCHEMBL1335854 0.88 AKR1B1 (0.37) MAOBAKR1B1ADORA2A
SCHEMBL3491338 0.88 AKR1B1 (0.37) MAOBAKR1B1ADORA2A
SCHEMBL1335940 0.87 HTR2A (0.35) AKR1B1WDR5HTR2AGRM2
SCHEMBL1335774 0.87 AKR1B1 (0.37) MAOBAKR1B1WDR5HTR2AGRM2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881825-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2013-07-24 EP claimed
US-8293731-B2 HIV integrase inhibitors Merck Sharp + Dohme Corp. (US) 2012-10-23 US claimed
US-20110275621-A1 HIV INTEGRASE INHIBITORS SCHERING CORPORATION 2011-11-10 US claimed
US-20090054399-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-02-26 US claimed
EP-1881825-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2008-01-30 EP claimed
WO-2006121831-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2006-11-16 WO claimed
EP-1881825-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2013-07-24 EP disclosed
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-7968564-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-06-28 US disclosed
US-7741315-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-22 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
US-20090054399-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-02-26 US disclosed
US-20090054399-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-02-26 US disclosed
EP-1881825-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2008-01-30 EP disclosed
WO-2006121831-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2006-11-16 WO 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 (3 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 MAOB 1775/4885AKR1B1 683/4885ADORA2A 3202/4885
US-20130178468-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI MAOB 1926/4885AKR1B1 858/4885ADORA2A 3500/4885
US-20110275621-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI MAOB 1926/4885AKR1B1 858/4885ADORA2A 3500/4885

“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.