SCHEMBL907710

SCHEMBL907710

N#Cc1ccc(C(O)c2ccc(F)cc2)c(CO)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
SCN9A Q15858 3/20 0.37
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
S1PR3 Q99500 3/20 0.35
CYP19A1 P11511 3/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
MGLL Q99685 1/20 0.33
PTGS1 P23219 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL2814244 0.82 FNTA (0.39) TOP2ATOP2BCYP19A1MAOAMAOB
SCHEMBL7598841 0.79 ADRB2 (0.38) PTGS1AOC3
SCHEMBL4085361 0.79 TOP2A (0.40) EPHX2SCN9ATOP2ATOP2BS1PR3
SCHEMBL27702058 0.78 AOC3 (0.36) EPHX2SCN9AS1PR3CYP19A1AOC3
SCHEMBL3986098 0.78 AOC3 (0.36) EPHX2SCN9AS1PR3CYP19A1AOC3
SCHEMBL27836477 0.78 EPHX2 (0.38) EPHX2SCN9ACYP19A1PTGDR2AOC3
SCHEMBL2337792 0.78 EPHX2 (0.38) EPHX2SCN9ACYP19A1PTGDR2AOC3
SCHEMBL27836479 0.78 EPHX2 (0.38) EPHX2SCN9ACYP19A1PTGDR2AOC3
SCHEMBL27816963 0.78 AOC3 (0.36) EPHX2SCN9AS1PR3CYP19A1AOC3
SCHEMBL4100718 0.78 MAPK1 (0.41) PTGDR2AOC3

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411077-B2 Process for the preparation of a cyano-isobenzofuran ADORKEN TECHNOLOGY SPA (IT) 2008-08-12 US claimed
US-20060183925-A1 Process for the preparation of a cyano-isobenzofuran ADORKEM TECHNOLOGY SPA 2006-08-17 US claimed
US-20060116522-A1 Process for the preparation of 5-substituted-1-(4-fluorophenyl)-1,3-dihydroisobenzofurans JUBILANT ORGANOSYS, LTD. (IN) 2006-06-01 US claimed
CN-1761658-A Process for the preparation of a cyano-isobenzofuran ADORKEM TECHNOLOGY SPA (IT) 2006-04-19 CN claimed
EP-1601662-A1 PROCESS FOR THE PREPARATION OF A CYANO-ISOBENZOFURAN Adorkem Technology SpA (IT) 2005-12-07 EP claimed
WO-2004080988-A1 PROCESS FOR THE PREPARATION OF A CYANO-ISOBENZOFURAN ADORKEM TECHNOLOGY SPA (IT) 2004-09-23 WO claimed
EP-1228056-B1 METHOD FOR THE PREPARATION OF CITALOPRAM LUNDBECK & CO AS H (DK) 2004-09-22 EP claimed
WO-2004020425-A1 IMPROVED PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED-1-(4-­FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURANS JUBILANT ORGANOSYS LTD. (IN) 2004-03-11 WO claimed
EP-1228056-A2 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2002-08-07 EP claimed
US-20020035277-A1 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2002-03-21 US claimed
WO-2000012044-A2 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2000-03-09 WO claimed
US-11845710-B2 Method for continuously preparing citalopram diol ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD (CN) 2023-12-19 US disclosed
EP-3896057-B1 METHOD FOR CONTINUOUSLY PREPARING CITALOPRAM DIOL ZHEJIANG HUAHAI PHARM CO LTD (CN) 2023-05-31 EP disclosed
US-20220024860-A1 METHOD FOR CONTINUOUSLY PREPARING CITALOPRAM DIOL SHANGHAI AOBO PHARMTECH, INC., LTD. (CN) 2022-01-27 US disclosed
EP-3896057-A1 METHOD FOR CONTINUOUSLY PREPARING 5-CITALOPRAM DIOL Zhejiang Huahai Pharmaceutical Co., Ltd. (CN) 2021-10-20 EP disclosed
US-20020035277-A1 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2002-03-21 US disclosed
US-6291689-B1 CYCLIZING 4-CYANO-2-HYDROXYMETHYLPHENYL)(4-FLUOROPHENYL)METHANOL TO FORM 1-(4-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURAN-5-CARBONITRILE; ALKYLATING TO FORM CITALOPRAM H. LUNDBECK A/S (DK) 2001-09-18 US disclosed
EP-1032566-A2 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2000-09-06 EP disclosed
WO-2000012044-A2 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2000-03-09 WO disclosed
WO-1998019511-A2 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 1998-05-14 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 (5 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-20020035277-A1 Method for the preparation of citalopram HTR6, HTR1A, HTR1F EPHX2 4049/4885SCN9A 1569/4885TOP2A 331/4885
US-20220024860-A1 METHOD FOR CONTINUOUSLY PREPARING CITALOPRAM DIOL GRHPR, TPH2, SLC6A4 EPHX2 1144/4885SCN9A 4390/4885TOP2A 723/4885
US-11845710-B2 Method for continuously preparing citalopram diol GRHPR, TPH2, SLC6A4 EPHX2 1144/4885SCN9A 4390/4885TOP2A 723/4885
US-20060116522-A1 Process for the preparation of 5-substituted-1-(4-fluorophenyl)-1,3-dihydroisobenzofurans CYP4F2, CYP2F1, CYP4F3 EPHX2 2649/4885SCN9A 3220/4885TOP2A 570/4885
US-20060183925-A1 Process for the preparation of a cyano-isobenzofuran HTR1F, CYP4F12, CYP4F3 EPHX2 4176/4885SCN9A 2598/4885TOP2A 1342/4885

“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.