SCHEMBL959435

SCHEMBL959435

C=CC[C@](O)(CC(C)N(C(=O)OC)C(C)c1ccc(Br)cc1)c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.33
ALOX5 P09917 1/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A9 P48067 1/20 0.30
PRCP P42785 1/20 0.30
KCNH2 Q12809 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL13953360 1.00 CACNA1G (0.33) CACNA1GALOX5SLC6A4SLC6A3SLC6A2
SCHEMBL3638990 0.89 ALOX5 (0.33) ALOX5
SCHEMBL3638986 0.89 ALOX5 (0.33) ALOX5
SCHEMBL3638992 0.89 ALOX5 (0.33) ALOX5
SCHEMBL959437 0.81 PRCP (0.30) PRCPKCNH2
SCHEMBL959436 0.76
SCHEMBL1904136 0.74 HTT (0.35)
SCHEMBL13010741 0.74 CACNA1G (0.35) CACNA1GALOX5
SCHEMBL956964 0.74 L3MBTL1 (0.39) CACNA1GALOX5KCNH2
SCHEMBL13953570 0.72 MTNR1A (0.35) CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CACNA1G 3585/4885ALOX5 1148/4885SLC6A4 3160/4885

“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.