SCHEMBL1950987

SCHEMBL1950987

CNC(=O)c1ccc2c(c1)C1(CCN(C(=O)/C=C/c3ccccc3C(F)(F)F)CC1)C(=O)N2C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 3/20 0.44
▸ GPR183 P32249 1/20 0.41
▸ NFKB1 P19838 1/20 0.39
▸ KEAP1 Q14145 3/20 0.38
▸ NFE2L2 Q16236 3/20 0.38
▸ PDK2 Q15119 2/20 0.37
▸ MAOB P27338 4/20 0.37
▸ P4HB P07237 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SCN9A Q15858 1/20 0.35

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
SCHEMBL1950988 1.00 IP6K1 (0.44) IP6K1GPR183NFKB1KEAP1NFE2L2
SCHEMBL14723848 0.92 IP6K1 (0.43) IP6K1GPR183NFKB1KEAP1NFE2L2
SCHEMBL1951013 0.91 IP6K1 (0.46) IP6K1GPR183NFKB1KEAP1NFE2L2
SCHEMBL1951015 0.91 IP6K1 (0.46) IP6K1GPR183NFKB1KEAP1NFE2L2
SCHEMBL1952175 0.91 IP6K1 (0.55) IP6K1GPR183NFKB1KEAP1NFE2L2
SCHEMBL1952173 0.91 IP6K1 (0.55) IP6K1GPR183NFKB1KEAP1NFE2L2
SCHEMBL1952446 0.90 IP6K1 (0.44) IP6K1GPR183NFKB1KEAP1NFE2L2
SCHEMBL1952445 0.90 IP6K1 (0.44) IP6K1GPR183NFKB1KEAP1NFE2L2
SCHEMBL1953340 0.90 IP6K1 (0.41) IP6K1GPR183NFKB1KEAP1NFE2L2
SCHEMBL1953342 0.90 IP6K1 (0.41) IP6K1GPR183NFKB1KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265588-B1 INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS INC (US) 2013-06-26 — — EP disclosed
EP-2265588-B1 INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS INC (US) 2013-06-26 — — EP disclosed
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 — — US disclosed
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 — — US disclosed
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 — — US disclosed
US-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 VITAE PHARMACEUTICALS INC. 2011-06-09 — — US disclosed
US-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 VITAE PHARMACEUTICALS INC. 2011-06-09 — — US disclosed
US-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 VITAE PHARMACEUTICALS INC. 2011-06-09 — — US disclosed
WO-2009108332-A1 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-09-03 — — 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 (1 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-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 HSD11B1, HSD17B1, HSD3B1 IP6K1 2427/4885GPR183 1523/4885NFKB1 1003/4885

“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.

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