SCHEMBL1488335

SCHEMBL1488335

O=C(O)C1(O)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.53
CYP2D6 P10635 7/20 0.49
CYP2C9 P11712 5/20 0.49
CYP2C19 P33261 2/20 0.49
OPRM1 P35372 5/20 0.49
OPRK1 P41145 5/20 0.49
OPRL1 P41146 5/20 0.49
OPRD1 P41143 4/20 0.49
USP2 O75604 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 2/20 0.48
HIF1A Q16665 2/20 0.48
TSHR P16473 1/20 0.48
MAOB P27338 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46

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
SCHEMBL1488639 0.86 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19OPRM1
SCHEMBL10569014 0.83 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C9CYP2C19OPRM1
SCHEMBL1602301 0.82 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19OPRM1
SCHEMBL14676735 0.80 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19OPRM1
SCHEMBL6206565 0.77 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9CYP2C19OPRM1
SCHEMBL4578709 0.77 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19OPRM1
SCHEMBL71724 0.77 NPSR1 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19OPRM1
SCHEMBL28176312 0.77 OPRM1 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19OPRM1
SCHEMBL14742155 0.76 CYP3A4 (0.69) CYP3A4CYP2D6CYP2C9CYP2C19OPRM1
Hydrochloric Acid SCHEMBL2951072 0.76 NPSR1 (0.56) CYP3A4CYP2D6CYP2C9CYP2C19OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250100966-A1 MEK INHIBITORS AND METHODS OF THEIR USE EXELIXIS INC (US) 2025-03-27 US disclosed
US-11597699-B2 MEK inhibitors and methods of their use EXELIXIS, INC. (US) 2023-03-07 US disclosed
CN-109053523-B Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2022-03-25 CN disclosed
CN-111643496-A Methods of using MEK inhibitors 埃克塞利希斯股份有限公司 2020-09-11 CN disclosed
US-20200283383-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2020-09-10 US disclosed
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. 2020-01-30 US disclosed
CN-110668988-A Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2020-01-10 CN disclosed
CN-104892582-B Azetidine as the mek inhibitor for treating proliferative disease 埃克塞利希斯股份有限公司 2019-09-27 CN disclosed
US-20190144382-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2019-05-16 US disclosed
CN-109053523-A Azetidine as the mek inhibitor for treating proliferative disease 埃克塞利希斯股份有限公司 2018-12-21 CN disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US disclosed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 WO disclosed
EP-1934174-A1 AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2008-06-25 EP disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
US-20080027036-A1 S1P receptor modulating compounds and use thereof EPIX DELAWARE, INC. (US) 2008-01-31 US disclosed
WO-2007109334-A2 SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-09-27 WO disclosed
WO-2007109334-A2 SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-09-27 WO disclosed
WO-2007044515-A1 AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2007-04-19 WO disclosed
US-4199570-A AZETIDINE, PYRROLIDINE, OR PIPERIDINE SHIONOGI & CO., LTD. (JP) 1980-04-22 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 (7 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-20080027036-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR5, S1PR2 CYP3A4 2766/4885CYP2D6 3644/4885CYP2C9 3397/4885
US-20200283383-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 CYP3A4 1209/4885CYP2D6 426/4885CYP2C9 765/4885
US-20250100966-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, KRAS CYP3A4 1236/4885CYP2D6 356/4885CYP2C9 744/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS CYP3A4 2369/4885CYP2D6 979/4885CYP2C9 1393/4885
US-20190144382-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 CYP3A4 1209/4885CYP2D6 426/4885CYP2C9 765/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 CYP3A4 1209/4885CYP2D6 426/4885CYP2C9 765/4885
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, MAP3K20 CYP3A4 1209/4885CYP2D6 426/4885CYP2C9 765/4885

“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.