SCHEMBL430124

SCHEMBL430124

CC(=O)N1CC(C)(C)c2ccc(C)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.64
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 1/20 0.40
HSD17B3 P37058 1/20 0.39
XIAP P98170 4/20 0.39
BIRC2 Q13490 4/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
AMPD2 Q01433 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36

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
SCHEMBL1607911 0.87 NOTUM (0.64) NOTUMMAPTLMNASMN1; SMN2CNR2
SCHEMBL11988470 0.84 NOTUM (0.51) NOTUMMAPTLMNASMN1; SMN2HSD17B3
SCHEMBL9687259 0.84 NOTUM (0.64) NOTUMLMNACNR2HSD17B3XIAP
SCHEMBL17446878 0.83 NOTUM (0.62) NOTUMCNR2HSD17B3XIAPBIRC2
SCHEMBL31481108 0.83 NOTUM (0.62) NOTUMCNR2HSD17B3XIAPBIRC2
SCHEMBL31481087 0.83 NOTUM (0.62) NOTUMCNR2HSD17B3XIAPBIRC2
SCHEMBL14823131 0.83 NOTUM (0.65) NOTUMMAPTLMNASMN1; SMN2HSD17B3
SCHEMBL395606 0.83 NOTUM (0.62) NOTUMCNR2HSD17B3XIAPBIRC2
SCHEMBL1042950 0.83 NOTUM (0.62) NOTUMCNR2XIAPBIRC2AMPD2
SCHEMBL15074696 0.82 NOTUM (0.49) NOTUMMAPTLMNASMN1; SMN2HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066776-A1 Novel substituted pyrimidine compounds GRUENENTHAL GMBH (DE) 2017-03-09 US disclosed
US-9540349-B2 Substituted pyrimidine compounds GRUENENTHAL GMBH (DE) 2017-01-10 US disclosed
US-20160016937-A1 Novel substituted pyrimidine compounds GRUENENTHAL GMBH (DE) 2016-01-21 US disclosed
EP-1885369-B1 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-09-23 EP disclosed
EP-2600874-B1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2015-03-04 EP disclosed
US-8859545-B2 Tetrahydronaphthyridine and tetrahydropyrido[4,3-D]pyrimidine compounds and compositions thereof useful for the treatment of inflammatory and respiratory diseases EVOTEC AG (DE) 2014-10-14 US disclosed
US-8859545-B2 Tetrahydronaphthyridine and tetrahydropyrido[4,3-D]pyrimidine compounds and compositions thereof useful for the treatment of inflammatory and respiratory diseases EVOTEC AG (DE) 2014-10-14 US disclosed
US-8716281-B2 Pyrimidine compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2014-05-06 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20100317676-A1 Fused heterocyclic compounds, and compositions and uses thereof RENOVIS, INC. 2010-12-16 US disclosed
US-7745451-B2 2,3-Difluoro-benzyl)-[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-amine, useful for the prevention and treatment of pain, inflammation, cognitive disorders, anxiety and depression in humans RENOVIS, INC. (US) 2010-06-29 US disclosed
US-7745451-B2 2,3-Difluoro-benzyl)-[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-amine, useful for the prevention and treatment of pain, inflammation, cognitive disorders, anxiety and depression in humans RENOVIS, INC. (US) 2010-06-29 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
US-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
WO-2006119504-A2 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 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 (4 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-20100317676-A1 Fused heterocyclic compounds, and compositions and uses thereof OPRL1, OPRK1, IL1B NOTUM 3296/4885MAPT 970/4885LMNA 1051/4885
US-20160016937-A1 Novel substituted pyrimidine compounds PDE4A, PDE4B, TYMP NOTUM 1560/4885MAPT 3607/4885LMNA 4016/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 NOTUM 2781/4885MAPT 3731/4885LMNA 2796/4885
US-20170066776-A1 Novel substituted pyrimidine compounds PDE4A, PDE4B, TYMP NOTUM 1560/4885MAPT 3607/4885LMNA 4016/4885

“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.