SCHEMBL2290318

SCHEMBL2290318

C[C@H](c1ccccc1)N1CCO[C@H](c2ccc(Cl)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
LTA4H P09960 2/20 0.44
CHRM2 P08172 2/20 0.43
HTR1A P08908 2/20 0.43
DRD3 P35462 2/20 0.43
HTR2B P41595 1/20 0.43
MOGAT2 Q3SYC2 1/20 0.41
MC4R P32245 1/20 0.41
CNR2 P34972 4/20 0.40
ADRA2A P08913 1/20 0.40
BCL2 P10415 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL2291473 1.00 CYP2D6 (0.45) CYP2D6LTA4HCHRM2HTR1ADRD3
SCHEMBL2291090 1.00 CYP2D6 (0.45) CYP2D6LTA4HCHRM2HTR1ADRD3
SCHEMBL2291288 1.00 CYP2D6 (0.45) CYP2D6LTA4HCHRM2HTR1ADRD3
SCHEMBL2295242 0.87 CYP2D6 (0.45) CYP2D6LTA4HCHRM2HTR1ADRD3
SCHEMBL170144 0.87 CYP2D6 (0.45) CYP2D6LTA4HCHRM2HTR1ADRD3
SCHEMBL2295881 0.87 CYP2D6 (0.45) CYP2D6LTA4HCHRM2HTR1ADRD3
SCHEMBL82176 0.87 CYP2D6 (0.45) CYP2D6LTA4HCHRM2HTR1ADRD3
SCHEMBL83704 0.87 CYP2D6 (0.45) CYP2D6LTA4HCHRM2HTR1ADRD3
SCHEMBL2295583 0.87 CHRM2 (0.45) CYP2D6LTA4HCHRM2HTR1ADRD3
SCHEMBL2294555 0.87 CHRM2 (0.45) CYP2D6LTA4HCHRM2HTR1ADRD3

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 7 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
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

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 CYP2D6 1386/4885LTA4H 4031/4885CHRM2 642/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 CYP2D6 1386/4885LTA4H 4031/4885CHRM2 642/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 CYP2D6 1386/4885LTA4H 4031/4885CHRM2 642/4885

“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.