SCHEMBL2289986

SCHEMBL2289986

O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](c2ccc(Br)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
FAAH O00519 2/20 0.46
MGLL Q99685 3/20 0.44
CHRNA7 P36544 1/20 0.44

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
SCHEMBL2293735 1.00 CYP1A2 (0.47) CYP1A2CYP2D6FAAHMGLLCHRNA7
SCHEMBL2295578 0.94 CYP1A2 (0.52) CYP1A2CYP2D6FAAHMGLL
SCHEMBL2294852 0.94 CYP1A2 (0.52) CYP1A2CYP2D6FAAHMGLL
SCHEMBL2294750 0.89 FAAH (0.53) CYP1A2CYP2D6FAAHMGLL
SCHEMBL2293399 0.89 MGLL (0.55) CYP1A2CYP2D6FAAHMGLL
SCHEMBL2296940 0.89 FAAH (0.53) CYP1A2CYP2D6FAAHMGLL
SCHEMBL2295726 0.89 MGLL (0.55) CYP1A2CYP2D6FAAHMGLL
SCHEMBL2918466 0.89 PKM (0.50) CYP1A2CYP2D6FAAHMGLL
SCHEMBL2292591 0.89 MGLL (0.51) CYP1A2CYP2D6FAAHMGLL
SCHEMBL2297471 0.89 MGLL (0.51) CYP1A2CYP2D6FAAHMGLL

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
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN 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
CN-102120741-A Production method of an optically active compound MITSUBISHI TANABE PHARMA CORP 2011-07-13 CN disclosed
CN-102050820-A Preparation method of compound with optical activity MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 CN 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 (2 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 CYP1A2 761/4885CYP2D6 1386/4885FAAH 4654/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 CYP1A2 761/4885CYP2D6 1386/4885FAAH 4654/4885

“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.