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
SCHEMBL14823131 0.83 NOTUM (0.65) NOTUMMAPTLMNASMN1; SMN2HSD17B3
SCHEMBL31481108 0.83 NOTUM (0.62) NOTUMCNR2HSD17B3XIAPBIRC2
SCHEMBL395606 0.83 NOTUM (0.62) NOTUMCNR2HSD17B3XIAPBIRC2
SCHEMBL17446878 0.83 NOTUM (0.62) NOTUMCNR2HSD17B3XIAPBIRC2
SCHEMBL1042950 0.83 NOTUM (0.62) NOTUMCNR2XIAPBIRC2AMPD2
SCHEMBL31481087 0.83 NOTUM (0.62) NOTUMCNR2HSD17B3XIAPBIRC2
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.

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