SCHEMBL1116865

SCHEMBL1116865

O=C(NC1CC1)c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2(c4ccc(Cl)cc4)CC2)C3)cc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.39
OXTR P30559 1/20 0.38
KCNH2 Q12809 3/20 0.38
ELOVL1 Q9BW60 1/20 0.37
F10 P00742 1/20 0.36
IDO1 P14902 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CNR1 P21554 1/20 0.36
KIT P10721 1/20 0.36
DCK P27707 1/20 0.35

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
SCHEMBL1116869 1.00 AVPR1A (0.44) AVPR1AMEN1KMT2AHPGDOXTR
SCHEMBL1117219 0.91 AVPR1A (0.46) AVPR1AMEN1KMT2AHPGDKCNH2
SCHEMBL1117216 0.91 AVPR1A (0.46) AVPR1AMEN1KMT2AHPGDKCNH2
SCHEMBL2097464 0.84 MEN1 (0.55) AVPR1AMEN1KMT2AKCNH2IDO1
SCHEMBL2097466 0.84 MEN1 (0.55) AVPR1AMEN1KMT2AKCNH2IDO1
SCHEMBL2098719 0.81 MEN1 (0.47) AVPR1AMEN1KMT2AOXTRKCNH2
SCHEMBL2099566 0.81 MEN1 (0.47) AVPR1AMEN1KMT2AOXTRKCNH2
SCHEMBL13691172 0.78 AVPR1A (0.44) AVPR1AMEN1KMT2AOXTRKCNH2
SCHEMBL1116930 0.77 MEN1 (0.48) AVPR1AMEN1KMT2AKCNH2IDO1
SCHEMBL1116926 0.77 MEN1 (0.48) AVPR1AMEN1KMT2AKCNH2IDO1

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 8 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 claimed
EP-2280966-A1 AZABICYCLO [3.2.1]OCTYL DERIVATIVES AS 11 BETA-HSD1 MODULATORS Exelixis, Inc. (US) 2011-02-09 EP claimed
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
WO-2009114173-A1 AZABICYCLO [3. 2. I] OCTYL DERIVATIVES AS 11 BETA-HSDL MODULATORS EXELIXIS, INC. (US) 2009-09-17 WO 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 AVPR1A 317/4885MEN1 1611/4885KMT2A 2538/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 AVPR1A 311/4885MEN1 1393/4885KMT2A 1907/4885

“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.