SCHEMBL9962944

SCHEMBL9962944

C=CCC(N)(CCCN[C@@H](C)c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
CYP3A4 P08684 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
SMPD1 P17405 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
CASR P41180 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL13747131 0.89 CYP3A4 (0.36) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL9962947 0.83 SIGMAR1 (0.37) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL3660804 0.82 ALDH1A1 (0.35) LMNAHTR1AADRA1ACASRALDH1A1
SCHEMBL3194342 0.77 HTR2A (0.33) ALDH1A1HTTHTR2A
SCHEMBL13010782 0.76 SMN1; SMN2 (0.38) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL12670498 0.76 SMN1; SMN2 (0.42) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL3192627 0.74 SIGMAR1 (0.39) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL9985533 0.73 SMN1; SMN2 (0.35) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL5468813 0.71 LMNA (0.61) LMNACYP3A4CHRM2HTR1AADRA2A
SCHEMBL5468817 0.71 LMNA (0.61) LMNACYP3A4CHRM2HTR1AADRA2A

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 7 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-20120232050-A1 Cyclic Inhibitors of 11 beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
US-8202857-B2 1,3-oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202857-B2 1,3-oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
WO-2011002910-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2011-01-06 WO disclosed
US-20100041637-A1 1,3-Oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2010-02-18 US disclosed
US-20100041637-A1 1,3-Oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2010-02-18 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 (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 2524/4885CYP3A4 136/4885CHRM2 3626/4885
US-20100041637-A1 1,3-Oxazepan-2-one and 1,3-diazepan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase 1 HSD11B1, HSD17B1, HSD3B1 LMNA 1822/4885CYP3A4 202/4885CHRM2 3499/4885

“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.