SCHEMBL2021683

SCHEMBL2021683

N#CN=C1C(Cc2c(Cl)cc(-c3ccc(C(=O)N4CCC(C(F)(F)F)CC4)cc3)cc2Cl)CCN1N1CCC(O)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.34
HSD11B1 P28845 4/20 0.33
NAMPT P43490 1/20 0.33
EIF4E P06730 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MGLL Q99685 5/20 0.33
TRPV1 Q8NER1 1/20 0.33
GRM3 Q14832 1/20 0.33
GRM5 P41594 1/20 0.32
SPR P35270 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
SCHEMBL2021682 1.00 HTR2B (0.34) HTR2BHSD11B1NAMPTEIF4EHRH3
SCHEMBL2025484 0.93 L3MBTL1 (0.35) HTR2BHSD11B1NAMPTMGLLSPR
SCHEMBL2025483 0.93 L3MBTL1 (0.35) HTR2BHSD11B1NAMPTMGLLSPR
Water SCHEMBL1093098 0.87 HTR2B (0.37) HTR2BHSD11B1NAMPTEIF4EHRH3
Water SCHEMBL1093097 0.87 HTR2B (0.37) HTR2BHSD11B1NAMPTEIF4EHRH3
SCHEMBL1093625 0.86 HTR2B (0.37) HTR2BHSD11B1NAMPTEIF4EHRH3
SCHEMBL1092073 0.86 HTR2B (0.37) HTR2BHSD11B1NAMPTEIF4EHRH3
SCHEMBL1092071 0.86 HTR2B (0.37) HTR2BHSD11B1NAMPTEIF4EHRH3
SCHEMBL2020341 0.82 HSD11B1 (0.33) HTR2BHSD11B1NAMPTMGLLSPR
SCHEMBL2020340 0.82 HSD11B1 (0.33) HTR2BHSD11B1NAMPTMGLLSPR

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-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP claimed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 US claimed
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
US-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
WO-2011068927-A2 11-β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11B-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
EP-2243479-A2 Novel amide and amidine derivates and uses thereof Abbott Laboratories (US) 2010-10-27 EP disclosed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 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 (2 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-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 HTR2B 1277/4885HSD11B1 2/4885NAMPT 1296/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 HTR2B 823/4885HSD11B1 1/4885NAMPT 861/4885

“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.