SCHEMBL2548754

SCHEMBL2548754

C=CCC(N)(CC(N)C(C)C(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL2548753 1.00 SLC6A3 (0.30) SLC6A3KCNH2MAOAMAOB
SCHEMBL3779463 0.78 DPP4 (0.33) SLC6A3KCNH2
SCHEMBL2936457 0.75
SCHEMBL12833766 0.69 KCNN4 (0.38) MAOAMAOB
SCHEMBL11587838 0.69 HTT (0.39)
SCHEMBL7131764 0.66 HTT (0.45)
SCHEMBL9721792 0.65 MAPT (0.46) SLC6A3
SCHEMBL13845616 0.65 ALDH1A1 (0.35)
SCHEMBL18435025 0.64 HTT (0.46)
SCHEMBL9721923 0.63 SMN1; SMN2 (0.33) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748444-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-06-10 US disclosed
US-8440658-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20110263582-A1 CYCLIC UREA INHIBITORS OF 11 B-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-10-27 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 (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-20110263582-A1 CYCLIC UREA INHIBITORS OF 11 B-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 SLC6A3 3215/4885KCNH2 4381/4885MAOA 1814/4885

“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.