SCHEMBL2298341

SCHEMBL2298341

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45
CYP2D6 P10635 4/20 0.45
LTA4H P09960 2/20 0.44
MOGAT2 Q3SYC2 3/20 0.44
MGAT2 Q10469 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MC4R P32245 1/20 0.41
GSK3B P49841 3/20 0.40
CYP1A2 P05177 2/20 0.40
CNR2 P34972 1/20 0.40
EPHX1 P07099 1/20 0.40
BRD4 O60885 2/20 0.39
CCR5 P51681 1/20 0.39
FADS1 O60427 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL2293862 1.00 CHRM2 (0.45) CHRM2HTR1ADRD3HTR2BCYP2D6
SCHEMBL2294555 1.00 CHRM2 (0.45) CHRM2HTR1ADRD3HTR2BCYP2D6
SCHEMBL2295583 1.00 CHRM2 (0.45) CHRM2HTR1ADRD3HTR2BCYP2D6
SCHEMBL2290318 0.87 CYP2D6 (0.45) CHRM2HTR1ADRD3HTR2BCYP2D6
SCHEMBL2291288 0.87 CYP2D6 (0.45) CHRM2HTR1ADRD3HTR2BCYP2D6
SCHEMBL82176 0.87 CYP2D6 (0.45) CHRM2HTR1ADRD3HTR2BCYP2D6
SCHEMBL2291473 0.87 CYP2D6 (0.45) CHRM2HTR1ADRD3HTR2BCYP2D6
SCHEMBL2295242 0.87 CYP2D6 (0.45) CHRM2HTR1ADRD3HTR2BCYP2D6
SCHEMBL83704 0.87 CYP2D6 (0.45) CHRM2HTR1ADRD3HTR2BCYP2D6
SCHEMBL170144 0.87 CYP2D6 (0.45) CHRM2HTR1ADRD3HTR2BCYP2D6

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 CHRM2 642/4885HTR1A 639/4885DRD3 3434/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 CHRM2 642/4885HTR1A 639/4885DRD3 3434/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 CHRM2 642/4885HTR1A 639/4885DRD3 3434/4885

“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.