SCHEMBL2698655

SCHEMBL2698655

C=C(C)CC(O)(CCNC(C)c1ccc(Br)cc1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 2/20 0.32
LMNA P02545 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
SMPD1 P17405 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
CASR P41180 1/20 0.32

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
SCHEMBL734950 1.00 SMN1; SMN2 (0.33) SMN1; SMN2CYP1A2ALDH1A1POLBCYP3A4
SCHEMBL13624889 0.88 SMN1; SMN2 (0.35) SMN1; SMN2CYP1A2ALDH1A1CYP3A4LMNA
SCHEMBL13552219 0.87 CYP3A4 (0.32) SMN1; SMN2CYP1A2ALDH1A1CYP3A4LMNA
SCHEMBL117417 0.82 SMN1; SMN2 (0.40) SMN1; SMN2CYP1A2ALDH1A1POLBCYP3A4
SCHEMBL118814 0.82 SMN1; SMN2 (0.33) SMN1; SMN2CYP1A2ALDH1A1POLBCYP3A4
SCHEMBL956973 0.82 SMN1; SMN2 (0.33) SMN1; SMN2CYP1A2ALDH1A1POLBCYP3A4
SCHEMBL13076904 0.79 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2ALDH1A1POLBCYP3A4
SCHEMBL9988600 0.78 POLB (0.36) POLB
SCHEMBL3192627 0.78 SIGMAR1 (0.39) SMN1; SMN2CYP1A2ALDH1A1POLBCYP3A4
SCHEMBL116841 0.77 CNR1 (0.35) SMN1; SMN2CYP1A2ALDH1A1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687525-B1 CYCLIC INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2015-09-23 EP disclosed
EP-2324017-B1 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2014-12-31 EP disclosed
US-8846668-B2 Inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20120108578-A1 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108578-A1 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 SMN1; SMN2 2872/4885CYP1A2 94/4885ALDH1A1 68/4885

“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.