SCHEMBL1732992

SCHEMBL1732992

CC(C)(C)OC(=O)Cc1ccc(CCN)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
TAAR1 Q96RJ0 6/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR3A P46098 1/20 0.42
BACE1 P56817 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BLM P54132 1/20 0.41

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
SCHEMBL9326099 0.86 CYP4F2 (0.44) CYP4F2CYP4A11NOS3NOS1NOS2
SCHEMBL479237 0.86 MTNR1A (0.46) CYP4F2CYP4A11MTNR1AMTNR1BCYP1A2
SCHEMBL5866843 0.86 LOXL2 (0.46) CYP4F2CYP4A11MTNR1AMTNR1BNOS3
Hydrochloric Acid SCHEMBL7594644 0.85 TDP1 (0.44) CYP4F2CYP4A11NOS3NOS1NOS2
SCHEMBL13308118 0.84 CYP4F2 (0.47) CYP4F2CYP4A11MTNR1AMTNR1BKDM4E
SCHEMBL27899222 0.83 CYP4F2 (0.46) CYP4F2CYP4A11MTNR1AMTNR1BALDH1A1
SCHEMBL4839321 0.81 LTA4H (0.45) TAAR1CYP1A2KDM4EALDH1A1
SCHEMBL9325892 0.81 PTPN1 (0.49) TAAR1CYP2C19MAOB
SCHEMBL8735781 0.80 CYP4F2 (0.70) CYP4F2CYP4A11TAAR1CYP1A2CYP2A6
SCHEMBL1283948 0.80 CA2 (0.50) CYP4F2CYP4A11MTNR1AMTNR1BKDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322776-A1 NEW ARYL-PYRIDO-PYRIMIDIN-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-10-12 US disclosed
US-20230322776-A1 NEW ARYL-PYRIDO-PYRIMIDIN-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-10-12 US disclosed
US-20230322776-A1 NEW ARYL-PYRIDO-PYRIMIDIN-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-10-12 US disclosed
WO-2022129260-A1 NEW ARYL-PYRIDO-PYRIMIDIN-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-06-23 WO disclosed
US-9365501-B2 Stable polymerizable UV-absorbing colorant for intraocular lens KOWA COMPANY, LTD. (JP) 2016-06-14 US disclosed
US-20150094439-A1 STABLE POLYMERIZABLE UV-ABSORBING COLORANT FOR INTRAOCULAR LENS KOWA COMPANY, LTD. (JP) 2015-04-02 US disclosed
EP-1492780-B1 5-SUBSTITUTED 1,1-DIOXO-¬1,2,5 THIAZOLIDINE-3-ONE DERIVATIVES AS PTPASE 1B INHIBITORS NOVARTIS AG (CH) 2011-11-23 EP disclosed
EP-2341049-A1 5-substituted 1,1-dioxo-[1,2,5]thiazolidine-3-one derivatives as PTPASE 1B inhibitors Novartis AG (CH) 2011-07-06 EP disclosed
US-20080139576-A1 5-Substituted 1,1-Dioxo- 1,2,5- Thiadiazolidin-3-One Derivatives NOVARTIS AG (CH) 2008-06-12 US disclosed
US-7291635-B2 5-substituted 1,1-dioxo-1,2,5,-thiadiazolidin-3-one derivatives NOVARTIS AG (CH) 2007-11-06 US disclosed
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents NOVARTIS AG (CH) 2005-04-28 US disclosed
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use COPPOLA GARY MARK 2004-02-05 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 (5 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-20230322776-A1 NEW ARYL-PYRIDO-PYRIMIDIN-ONE DERIVATIVES QDPR, P2RY1, REN CYP4F2 284/4885CYP4A11 411/4885MTNR1A 19/4885
US-20150094439-A1 STABLE POLYMERIZABLE UV-ABSORBING COLORANT FOR INTRAOCULAR LENS UACA, CRYAA, ALDH1A2 CYP4F2 1907/4885CYP4A11 505/4885MTNR1A 1091/4885
US-20080139576-A1 5-Substituted 1,1-Dioxo- 1,2,5- Thiadiazolidin-3-One Derivatives PTPRS, PTPRJ, IRS1 CYP4F2 2843/4885CYP4A11 3244/4885MTNR1A 1076/4885
US-20050090502-A1 Protein tyrosine phosphatase 1B inhibitors alone or incombination with other antidiabetic, antilipemic, anticholesterol or hypotensive agents PTPRS, PTPMT1, PTPN1 CYP4F2 3269/4885CYP4A11 2246/4885MTNR1A 1964/4885
US-20040023974-A1 Cyclic sulfamide derivatives and methods of use PTPRS, PTPA, PTPMT1 CYP4F2 3172/4885CYP4A11 3359/4885MTNR1A 1192/4885

“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.