SCHEMBL3551746

SCHEMBL3551746

O=C(c1cnoc1-c1cccc(Cl)c1)N1CCC(c2ccncc2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.51
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
SCD5 Q86SK9 3/20 0.45
HSD11B1 P28845 2/20 0.45
GRM5 P41594 8/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
SCD O00767 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL3542759 0.92 SCD5 (0.54) SPRHCRTR1HCRTR2SCD5HSD11B1
SCHEMBL13501686 0.91 SPR (0.55) SPRHCRTR1HCRTR2SCD5HSD11B1
SCHEMBL13501685 0.91 SPR (0.55) SPRHCRTR1HCRTR2SCD5HSD11B1
SCHEMBL3540718 0.91 SPR (0.55) SPRHCRTR1HCRTR2SCD5HSD11B1
SCHEMBL3553683 0.88 HSD11B1 (0.53) SPRHCRTR1HCRTR2SCD5HSD11B1
SCHEMBL3547361 0.88 HCRTR1 (0.55) SPRHCRTR1HCRTR2SCD5MAPT
SCHEMBL3546542 0.85 SPR (0.54) SPRHCRTR1HCRTR2SCD5HSD11B1
SCHEMBL13501708 0.83 GRM5 (0.53) HCRTR1HCRTR2GRM5SCD
SCHEMBL3550082 0.82 SCD5 (0.55) SPRHCRTR1HCRTR2SCD5HSD11B1
SCHEMBL3546776 0.82 SPR (0.44) SPRHCRTR1HCRTR2SCD5HSD11B1

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-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 SPR 256/4885HCRTR1 314/4885HCRTR2 531/4885

“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.