SCHEMBL1199533

SCHEMBL1199533

CC(C)(C)OC(=O)N1CC=C(c2ccc(-c3ncccn3)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.58
GRM5 P41594 11/20 0.58
WNT3A P56704 1/20 0.56
NAMPT P43490 1/20 0.51
PDK4 Q16654 1/20 0.49
TNK2 Q07912 1/20 0.47
BTK Q06187 1/20 0.47
CYP11B2 P19099 1/20 0.47

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
SCHEMBL1199388 0.89 NAMPT (0.59) GRM1GRM5NAMPTPDK4TNK2
SCHEMBL2274299 0.86 GPR119 (0.52) GRM1GRM5WNT3ANAMPTPDK4
SCHEMBL4251822 0.84 GRM5 (0.70) GRM1GRM5WNT3ANAMPTPDK4
SCHEMBL29559340 0.84 GRM5 (0.70) GRM1GRM5WNT3ANAMPTPDK4
SCHEMBL7470566 0.84 GRM5 (0.60) GRM1GRM5NAMPTPDK4TNK2
SCHEMBL16340041 0.84 GRM1 (0.57) GRM1GRM5WNT3ANAMPTPDK4
SCHEMBL903903 0.83 GRM1 (0.56) GRM1GRM5WNT3ANAMPTPDK4
SCHEMBL18113625 0.83 ALDH1A1 (0.49) WNT3ANAMPT
SCHEMBL13096687 0.82 GRM1 (0.55) GRM1GRM5WNT3ANAMPTPDK4
SCHEMBL31039781 0.82 GRM1 (0.55) GRM1GRM5WNT3ANAMPTPDK4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849053-B Spiro compounds 里科瑞尔姆IP控股有限责任公司 2020-10-30 CN disclosed
US-20200268714-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2020-08-27 US disclosed
EP-3277690-B1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS LLC (US) 2020-02-26 EP disclosed
EP-3277690-B1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS LLC (US) 2020-02-26 EP disclosed
US-20190201380-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2019-07-04 US disclosed
US-20190201380-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2019-07-04 US disclosed
US-20180207132-A1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2018-07-26 US disclosed
US-20180207132-A1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2018-07-26 US disclosed
US-20180207132-A1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2018-07-26 US disclosed
EP-3277690-A1 SPIROCYCLIC COMPOUNDS Kalyra Pharmaceuticals, Inc. (US) 2018-02-07 EP disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
WO-2008156739-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION (US) 2008-12-24 WO disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 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 (6 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 GRM1 3670/4885GRM5 4174/4885WNT3A 1997/4885
US-20200268714-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 GRM1 4102/4885GRM5 3424/4885WNT3A 3151/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 GRM1 3394/4885GRM5 4034/4885WNT3A 2725/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 GRM1 3271/4885GRM5 3957/4885WNT3A 2614/4885
US-20190201380-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 GRM1 4102/4885GRM5 3424/4885WNT3A 3151/4885
US-20180207132-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 GRM1 4102/4885GRM5 3424/4885WNT3A 3151/4885

“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.