SCHEMBL2298986

SCHEMBL2298986

CN1C[C@@H](c2cccc(F)c2)OCC1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
GFER P55789 1/20 0.39
FADS1 O60427 1/20 0.39
HTR7 P34969 1/20 0.39
BRD4 O60885 3/20 0.39
ACHE P22303 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
DRD3 P35462 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL2294831 1.00 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL2294643 0.82 TDP1 (0.41) GFERFADS1HTR7ACHETDP1
SCHEMBL2297588 0.82 RIPK1 (0.38) GFERFADS1HTR7DRD3ALDH1A1
SCHEMBL2295427 0.82 RIPK1 (0.38) GFERFADS1HTR7DRD3ALDH1A1
SCHEMBL2296881 0.82 TDP1 (0.41) GFERFADS1HTR7ACHETDP1
SCHEMBL2297395 0.82 CYP2D6 (0.43) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL2298212 0.82 CYP2D6 (0.43) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL25649058 0.82 CYP2D6 (0.55) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL2295880 0.77 KMT2A (0.43) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL2295804 0.77 DPP4 (0.45)

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 SLC6A2 4107/4885SLC6A4 3721/4885SLC6A3 4160/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 SLC6A2 4107/4885SLC6A4 3721/4885SLC6A3 4160/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 SLC6A2 4107/4885SLC6A4 3721/4885SLC6A3 4160/4885

“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.