SCHEMBL1641102

SCHEMBL1641102

C=CCC(CCN[C@@H](C)c1ccc(Br)cc1)(CC(=O)OCC)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 5/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL1642302 0.91 LMNA (0.34) LMNASMN1; SMN2NPSR1ALDH1A1CYP1A2
SCHEMBL1641143 0.90 ALDH1A1 (0.36) LMNASMN1; SMN2NPSR1ALDH1A1CYP1A2
SCHEMBL13770620 0.81 ALDH1A1 (0.37) LMNASMN1; SMN2NPSR1ALDH1A1CYP1A2
SCHEMBL1642762 0.76 ALDH1A1 (0.41) SMN1; SMN2NPSR1ALDH1A1KMT2AMAPT
SCHEMBL12767571 0.73 PRCP (0.34) LMNAALDH1A1
SCHEMBL12670498 0.71 SMN1; SMN2 (0.42) LMNASMN1; SMN2NPSR1ALDH1A1CYP1A2
SCHEMBL9985533 0.71 SMN1; SMN2 (0.35) LMNASMN1; SMN2NPSR1ALDH1A1CYP1A2
SCHEMBL9962944 0.70 LMNA (0.36) LMNASMN1; SMN2NPSR1ALDH1A1CYP1A2
SCHEMBL117417 0.69 SMN1; SMN2 (0.40) LMNASMN1; SMN2NPSR1ALDH1A1CYP1A2
SCHEMBL16791656 0.69 SMN1; SMN2 (0.42) LMNASMN1; SMN2NPSR1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883778-B2 Cyclic inhibitors of 11 beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-8883778-B2 Cyclic inhibitors of 11 beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-11-11 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-8680281-B2 Lactam inhibitors of 11-β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-20120232050-A1 Cyclic Inhibitors of 11 beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
US-20120232050-A1 Cyclic Inhibitors of 11 beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-09-13 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
US-20110098320-A1 Lactam Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-04-28 US disclosed
WO-2011002910-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2011-01-06 WO 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 (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-20120232050-A1 Cyclic Inhibitors of 11 beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD11B2 LMNA 2524/4885SMN1; SMN2 4460/4885NPSR1 3067/4885
US-20110098320-A1 Lactam Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD11B2, HSD17B1 LMNA 1360/4885SMN1; SMN2 2241/4885NPSR1 4509/4885

“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.