SCHEMBL2099566

SCHEMBL2099566

O=C(NC1CC1)c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2(c4ccc(Cl)cc4)CC2)C3)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
AVPR1A P37288 4/20 0.44
DCK P27707 3/20 0.42
HSD11B1 P28845 2/20 0.40
IDO1 P14902 1/20 0.40
PDE4B Q07343 1/20 0.39
MCHR1 Q99705 1/20 0.38
KCNH2 Q12809 2/20 0.38
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
DRD4 P21917 1/20 0.38
OXTR P30559 1/20 0.38

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
SCHEMBL2098719 1.00 MEN1 (0.47) MEN1KMT2AAVPR1ADCKHSD11B1
SCHEMBL1116930 0.91 MEN1 (0.48) MEN1KMT2AAVPR1ADCKHSD11B1
SCHEMBL1116926 0.91 MEN1 (0.48) MEN1KMT2AAVPR1ADCKHSD11B1
SCHEMBL2097466 0.84 MEN1 (0.55) MEN1KMT2AAVPR1AHSD11B1IDO1
SCHEMBL2097464 0.84 MEN1 (0.55) MEN1KMT2AAVPR1AHSD11B1IDO1
SCHEMBL1116865 0.81 AVPR1A (0.44) MEN1KMT2AAVPR1ADCKIDO1
SCHEMBL1116869 0.81 AVPR1A (0.44) MEN1KMT2AAVPR1ADCKIDO1
SCHEMBL1116640 0.80 HSP90AA1 (0.51) MEN1KMT2AAVPR1AHSD11B1
SCHEMBL1116644 0.80 HSP90AA1 (0.51) MEN1KMT2AAVPR1AHSD11B1
SCHEMBL1117216 0.77 AVPR1A (0.46) MEN1KMT2AAVPR1AHSD11B1IDO1

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
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US claimed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 US claimed
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 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

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 MEN1 1611/4885KMT2A 2538/4885AVPR1A 317/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 MEN1 1393/4885KMT2A 1907/4885AVPR1A 311/4885

“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.