SCHEMBL4158748

SCHEMBL4158748

COP(=O)(CCN1CCNCC1)OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
CXCR4 P61073 2/20 0.37
HSD17B10 Q99714 1/20 0.34
HTR4 Q13639 2/20 0.33
PADI1 Q9ULC6 1/20 0.33
PADI4 Q9UM07 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
RAD52 P43351 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 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
SCHEMBL18985137 0.89 CXCR4 (0.43) MEN1KMT2APOLBSMN1; SMN2ANPEP
SCHEMBL7452501 0.81 PPARD (0.42) MEN1KMT2APOLBSMN1; SMN2ANPEP
SCHEMBL16317682 0.80 PPARD (0.41) MEN1KMT2APOLBSMN1; SMN2ANPEP
SCHEMBL6406021 0.80 MEN1 (0.39) MEN1KMT2APOLBSMN1; SMN2ANPEP
SCHEMBL13530009 0.78 POLB (0.42) MEN1KMT2APOLBSMN1; SMN2ANPEP
Carbon Monoxide SCHEMBL5005999 0.78 PPARD (0.39) MEN1KMT2APOLBSMN1; SMN2ANPEP
SCHEMBL7448714 0.77
SCHEMBL13992769 0.74 CXCR4 (0.51) MEN1KMT2ACXCR4HTR4SIGMAR1
SCHEMBL7449088 0.74 ANPEP (0.51) MEN1KMT2APOLBSMN1; SMN2ANPEP
SCHEMBL92630 0.73 MEN1 (0.54) MEN1KMT2APOLBSMN1; SMN2CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
US-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-09-28 US disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
EP-1558613-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-08-03 EP disclosed
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 US disclosed
WO-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 WO disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 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 (6 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-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds CCNI, INTS6, CCNE1 MEN1 3900/4885KMT2A 1324/4885POLB 99/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 MEN1 4367/4885KMT2A 1262/4885POLB 70/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 MEN1 4367/4885KMT2A 1262/4885POLB 70/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 MEN1 3913/4885KMT2A 1209/4885POLB 138/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE MEN1 4347/4885KMT2A 1777/4885POLB 55/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE MEN1 4347/4885KMT2A 1777/4885POLB 55/4885

“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.