SCHEMBL2020340

SCHEMBL2020340

N#C/N=C1/C(Cc2c(Cl)cc(-c3ccc(C(=O)N4CCC(C(F)(F)F)CC4)cc3)cc2Cl)CCN1C1CCC(F)(F)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.33
NAMPT P43490 2/20 0.33
MET P08581 2/20 0.32
HTR2B P41595 1/20 0.32
MGLL Q99685 5/20 0.32
FASN P49327 1/20 0.31
SPR P35270 1/20 0.31
RIPK1 Q13546 1/20 0.30
JAK2 O60674 2/20 0.30
JAK1 P23458 1/20 0.30

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
SCHEMBL2020341 1.00 HSD11B1 (0.33) HSD11B1NAMPTMETHTR2BMGLL
SCHEMBL2023699 0.88 NAMPT (0.33) HSD11B1NAMPTMETMGLLSPR
SCHEMBL2023698 0.88 NAMPT (0.33) HSD11B1NAMPTMETMGLLSPR
SCHEMBL3124419 0.87 NAMPT (0.35) HSD11B1NAMPTMETHTR2BMGLL
SCHEMBL2024213 0.87 NAMPT (0.35) HSD11B1NAMPTMETHTR2BMGLL
SCHEMBL2027513 0.83 TGFBR1 (0.30)
SCHEMBL2027512 0.83 TGFBR1 (0.30)
SCHEMBL2022111 0.83 HTR2B (0.34) NAMPTHTR2BSPRJAK2JAK1
SCHEMBL2022110 0.83 HTR2B (0.34) NAMPTHTR2BSPRJAK2JAK1
SCHEMBL2025484 0.82 L3MBTL1 (0.35) HSD11B1NAMPTMETHTR2BMGLL

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 HSD11B1 2/4885NAMPT 1296/4885MET 2320/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885NAMPT 861/4885MET 3751/4885

“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.