SCHEMBL1770778

SCHEMBL1770778

CC(C)(C)OC(=O)NC1(Cc2ccccc2)CCN(Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 6/20 0.57
NPFFR2 Q9Y5X5 6/20 0.57
PPIA P62937 1/20 0.48
CYP2D6 P10635 6/20 0.44
ALDH1A1 P00352 2/20 0.44
DPP4 P27487 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
SIGMAR1 Q99720 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL13738215 0.91 NPFFR1 (0.57) NPFFR1NPFFR2PPIACYP2D6ALDH1A1
SCHEMBL4795708 0.91 NPFFR1 (0.57) NPFFR1NPFFR2PPIACYP2D6ALDH1A1
SCHEMBL4295050 0.91 NPFFR1 (0.57) NPFFR1NPFFR2PPIACYP2D6ALDH1A1
SCHEMBL31447501 0.89 NPFFR1 (0.55) NPFFR1NPFFR2PPIACYP2D6ALDH1A1
SCHEMBL24347013 0.88 NPFFR1 (0.54) NPFFR1NPFFR2PPIACYP2D6ALDH1A1
SCHEMBL15774951 0.88 NPFFR1 (0.54) NPFFR1NPFFR2PPIACYP2D6ALDH1A1
SCHEMBL6703813 0.86 NPFFR1 (0.61) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A
SCHEMBL17606484 0.86 NPFFR1 (0.61) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A
SCHEMBL28276091 0.85 NPFFR1 (0.60) NPFFR1NPFFR2CYP2D6ALDH1A1DPP4
SCHEMBL23538736 0.85 NPFFR1 (0.60) NPFFR1NPFFR2CYP2D6ALDH1A1KMT2A

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
US-8828985-B2 Carbamate and urea inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-8828985-B2 Carbamate and urea inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 CLAREMON DAVID A (US) 2013-09-19 US disclosed
US-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 CLAREMON DAVID A (US) 2013-09-19 US disclosed
US-8399504-B2 Carbamate and urea inhibitors of 11Beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC 2011-05-12 US disclosed
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC 2011-05-12 US disclosed
WO-2009131669-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-10-29 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 (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-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 NPFFR1 2240/4885NPFFR2 3346/4885PPIA 2323/4885
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD17B1 NPFFR1 3044/4885NPFFR2 3923/4885PPIA 928/4885

“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.