SCHEMBL1642302

SCHEMBL1642302

C=CCC(CCN[C@@H](C)c1ccc(Br)cc1)(CC(=O)OCC)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.34
MAPT P10636 5/20 0.34
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
CACNA1G O43497 1/20 0.34
KMT2A Q03164 4/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 2/20 0.31
MITF O75030 1/20 0.31
PHGDH O43175 1/20 0.31
MEN1 O00255 2/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL1641102 0.91 LMNA (0.38) LMNAMAPTALDH1A1CYP1A2NPSR1
SCHEMBL12767571 0.82 PRCP (0.34) LMNAALDH1A1CACNA1G
SCHEMBL1641143 0.81 ALDH1A1 (0.36) LMNAMAPTALDH1A1CYP1A2NPSR1
SCHEMBL13638260 0.77 ALDH1A1 (0.35) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL13770620 0.76 ALDH1A1 (0.37) LMNAMAPTALDH1A1CYP1A2NPSR1
SCHEMBL3660804 0.75 ALDH1A1 (0.35) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL1904136 0.72 HTT (0.35) LMNAMAPTALDH1A1CYP2C9SMN1; SMN2
SCHEMBL3656334 0.70 MITF (0.31) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL9985533 0.70 SMN1; SMN2 (0.35) LMNAALDH1A1CYP1A2NPSR1CYP2C19
SCHEMBL18111800 0.68 MAPT (0.46) LMNAMAPTALDH1A1CYP1A2NPSR1

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-8680281-B2 Lactam inhibitors of 11-β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-8680281-B2 Lactam inhibitors of 11-β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-8680281-B2 Lactam inhibitors of 11-β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-20110098320-A1 Lactam Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-04-28 US disclosed
US-20110098320-A1 Lactam Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-04-28 US disclosed
EP-2240448-A1 LACTAM INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-10-20 EP disclosed
WO-2009088997-A1 LACTAM INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-07-16 WO disclosed
WO-2009088997-A1 LACTAM INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-07-16 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-20110098320-A1 Lactam Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD11B2, HSD17B1 LMNA 1360/4885MAPT 3839/4885ALDH1A1 104/4885

“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.