SCHEMBL956973

SCHEMBL956973

C=CCC(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
LMNA P02545 3/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 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
SCHEMBL118814 1.00 SMN1; SMN2 (0.33) SMN1; SMN2LMNACYP2C19ALDH1A1POLB
SCHEMBL13624936 0.88 SMN1; SMN2 (0.35) SMN1; SMN2LMNACYP2C19ALDH1A1CYP3A4
SCHEMBL9985533 0.86 SMN1; SMN2 (0.35) SMN1; SMN2LMNACYP2C19ALDH1A1POLB
SCHEMBL734950 0.82 SMN1; SMN2 (0.33) SMN1; SMN2LMNACYP2C19ALDH1A1POLB
SCHEMBL2698655 0.82 SMN1; SMN2 (0.33) SMN1; SMN2LMNACYP2C19ALDH1A1POLB
SCHEMBL13076904 0.79 SMN1; SMN2 (0.39) SMN1; SMN2LMNACYP2C19ALDH1A1POLB
SCHEMBL13638260 0.78 ALDH1A1 (0.35) SMN1; SMN2LMNAALDH1A1HTR1ASLC6A2
SCHEMBL12670498 0.74 SMN1; SMN2 (0.42) SMN1; SMN2LMNACYP2C19ALDH1A1CYP3A4
SCHEMBL3660804 0.73 ALDH1A1 (0.35) LMNAALDH1A1HTR1AADRA1ACASR
SCHEMBL5470485 0.73 LMNA (0.48) SMN1; SMN2LMNACYP2C19ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 SMN1; SMN2 3642/4885LMNA 2828/4885CYP2C19 175/4885

“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.