SCHEMBL1116680

SCHEMBL1116680

CCOC(=O)N1C2CCC1CC(NC(=O)C1(c3ccc(Cl)cc3)CC1)C2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.55
CHRM1 P11229 12/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
OPRM1 P35372 1/20 0.46
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
KCNH2 Q12809 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL2097102 1.00 AVPR1A (0.55) AVPR1ACHRM1SMN1; SMN2GAANPSR1
SCHEMBL4966815 0.82 ALDH1A1 (0.55) SMN1; SMN2GAANPSR1OPRM1MEN1
SCHEMBL6945954 0.74 CHRM1 (0.47) CHRM1CHRM4CHRM5KCNH2MEN1
SCHEMBL2097466 0.72 MEN1 (0.55) AVPR1AGAAKCNH2MEN1KMT2A
SCHEMBL2097464 0.72 MEN1 (0.55) AVPR1AGAAKCNH2MEN1KMT2A
SCHEMBL1116648 0.72 AVPR1A (0.47) AVPR1AKCNH2MEN1KMT2A
SCHEMBL2099296 0.72 AVPR1A (0.47) AVPR1AKCNH2MEN1KMT2A
SCHEMBL4961970 0.72 POLB (0.57) AVPR1ASMN1; SMN2KCNH2ALDH1A1
Bromide SCHEMBL2096326 0.72 AVPR1A (0.69) AVPR1ASMN1; SMN2GAAKCNH2ALDH1A1
Bromide SCHEMBL2096328 0.72 AVPR1A (0.69) AVPR1ASMN1; SMN2GAAKCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US disclosed
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US disclosed
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US disclosed
EP-2280966-A1 AZABICYCLO [3.2.1]OCTYL DERIVATIVES AS 11 BETA-HSD1 MODULATORS Exelixis, Inc. (US) 2011-02-09 EP disclosed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US disclosed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US disclosed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US disclosed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 US disclosed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 US disclosed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 US disclosed
WO-2009114173-A1 AZABICYCLO [3. 2. I] OCTYL DERIVATIVES AS 11 BETA-HSDL MODULATORS EXELIXIS, INC. (US) 2009-09-17 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 (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-20100105675-A2 11 BETA-HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 AVPR1A 317/4885CHRM1 1021/4885SMN1; SMN2 1935/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 AVPR1A 311/4885CHRM1 2077/4885SMN1; SMN2 2199/4885

“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.