SCHEMBL2292869

SCHEMBL2292869

COc1ccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.55
DRD4 P21917 1/20 0.48
KDM4E B2RXH2 3/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 2/20 0.47
PDE10A Q9Y233 1/20 0.46
FADS1 O60427 1/20 0.46
MGAT2 Q10469 1/20 0.46
MOGAT2 Q3SYC2 1/20 0.46
CNR2 P34972 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2290888 1.00 TACR1 (0.55) TACR1DRD4KDM4ETSHRLMNA
SCHEMBL2295643 0.89 KMT2A (0.55) DRD4KDM4ETSHRMAPK1PDE10A
SCHEMBL2295497 0.89 KDM4E (0.47) TACR1KDM4ETSHRLMNAMAPK1
SCHEMBL2290292 0.89 KMT2A (0.55) DRD4KDM4ETSHRMAPK1PDE10A
SCHEMBL2298675 0.89 KDM4E (0.47) TACR1KDM4ETSHRLMNAMAPK1
SCHEMBL2296291 0.89 RORC (0.52) TACR1DRD4KDM4ETSHRLMNA
SCHEMBL2297341 0.89 RORC (0.52) TACR1DRD4KDM4ETSHRLMNA
SCHEMBL2295727 0.85 MAPK1 (0.45) TACR1KDM4ETSHRMAPK1MGAT2
SCHEMBL2290202 0.85 MAPK1 (0.45) TACR1KDM4ETSHRMAPK1MGAT2
SCHEMBL2299650 0.85 KCNJ1 (0.47) TACR1DRD4KDM4ETSHRMAPK1

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 TACR1 3217/4885DRD4 2269/4885KDM4E 842/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 TACR1 3217/4885DRD4 2269/4885KDM4E 842/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 TACR1 3217/4885DRD4 2269/4885KDM4E 842/4885

“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.