SCHEMBL2298263

SCHEMBL2298263

COc1ccc(CN2C[C@@H](c3cccc(F)c3)OCC2=O)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
TACR1 P25103 1/20 0.42
KMT2A Q03164 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
BTK Q06187 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTR7 P34969 2/20 0.38
FADS1 O60427 1/20 0.38
P2RX7 Q99572 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2296405 1.00 RORC (0.48) RORCCYP3A4CYP2C19TACR1KMT2A
SCHEMBL2295813 0.89 FADS1 (0.49) TACR1KMT2ABTKKDM4ELMNA
SCHEMBL2292357 0.89 FADS1 (0.49) TACR1KMT2ABTKKDM4ELMNA
SCHEMBL2294882 0.86 DRD4 (0.46) CYP3A4CYP2C19KMT2APOLB
SCHEMBL2298062 0.86 DRD4 (0.46) CYP3A4CYP2C19KMT2APOLB
SCHEMBL2291574 0.83 MEN1 (0.46) TACR1KMT2ABTKKDM4ETSHR
SCHEMBL2295659 0.83 MEN1 (0.46) TACR1KMT2ABTKKDM4ETSHR
SCHEMBL2294603 0.83 BTK (0.41) TACR1KMT2ABTKKDM4ETSHR
SCHEMBL2294194 0.83 BTK (0.41) TACR1KMT2ABTKKDM4ETSHR
SCHEMBL2295052 0.80 BTK (0.40) TACR1KMT2ABTKKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US claimed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
EP-2221305-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US disclosed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 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 (3 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 RORC 1998/4885CYP3A4 672/4885CYP2C19 1737/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 RORC 1998/4885CYP3A4 672/4885CYP2C19 1737/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 RORC 1998/4885CYP3A4 672/4885CYP2C19 1737/4885

“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.