SCHEMBL4837968

SCHEMBL4837968

Fc1ccc(C2OCc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.46
HTR2A P28223 5/20 0.42
HTR2C P28335 5/20 0.42
HTR2B P41595 5/20 0.42
SLC6A2 P23975 5/20 0.42
SLC6A4 P31645 5/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP2D6 P10635 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
HRH1 P35367 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL5439029 0.85 SMN1; SMN2 (0.54) PRCPHTR2AHTR2CHTR2BSLC6A2
SCHEMBL11469037 0.83 PRCP (0.51) PRCPHTR2AHTR2CHTR2BSLC6A2
SCHEMBL11504099 0.82 SLC6A2 (0.42) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL7163573 0.78 SLC5A2 (0.39) PRCPHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL6096441 0.77 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6TDP1
SCHEMBL1777 0.77 KDM1A (0.35) SLC6A4
SCHEMBL27840083 0.77 FADS1 (0.37) HTR2AHTR2CHTR2B
SCHEMBL27508666 0.76 SLC5A2 (0.38) PRCPSMN1; SMN2
SCHEMBL11503897 0.76 SMN1; SMN2 (0.43) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL11114670 0.74 SMN1; SMN2 (0.37) HTR2AHTR2CHTR2BSLC6A2SLC6A4

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 40 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 disclosed
CN-100338051-C Process for the preparation of citalopram LUNDHECK AS H (DK) 2007-09-19 CN disclosed
US-20060183925-A1 Process for the preparation of a cyano-isobenzofuran ADORKEM TECHNOLOGY SPA 2006-08-17 US disclosed
CN-1258530-C Crystalline base of citalopram LUNDBECK & CO AS H (DK) 2006-06-07 CN disclosed
CN-1761658-A Process for the preparation of a cyano-isobenzofuran ADORKEM TECHNOLOGY SPA (IT) 2006-04-19 CN disclosed
US-6992198-B2 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2006-01-31 US disclosed
EP-1601662-A1 PROCESS FOR THE PREPARATION OF A CYANO-ISOBENZOFURAN Adorkem Technology SpA (IT) 2005-12-07 EP disclosed
EP-1601662-A1 PROCESS FOR THE PREPARATION OF A CYANO-ISOBENZOFURAN Adorkem Technology SpA (IT) 2005-12-07 EP disclosed
CN-1680350-A Crystalline base of citalopram LUNDBECK & CO AS H (DK) 2005-10-12 CN disclosed
US-20040215025-A1 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2004-10-28 US disclosed
WO-1998019511-A3 METHOD FOR THE PREPARATION OF CITALOPRAM LUNDBECK & CO AS H (DK) 1998-08-06 WO disclosed
WO-1998019511-A2 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 1998-05-14 WO disclosed
US-5137896-A Useful in treatment of gastrointestinal and psychic disorder; analgesic, antiemetic and antiulcer agent JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-11 US disclosed
US-5057525-A Stimulators of gastrointestinal motility JANSSEN PHARMACEUTICA N.V. (BE) 1991-10-15 US disclosed
US-4962115-A Stimulate motility of gastrointestinal system JANSSEN PHARMACEUTICA N.V. (BE) 1990-10-09 US disclosed
US-4766125-A N-aryl-piperazinealkanamides useful for protecting hearts from myocardial injury caused by ischaemia, anoxia or hypoxia JANSSEN PHARMACEUTICA N.V. (BE) 1988-08-23 US disclosed
EP-0068544-B1 NOVEL N-ARYL-PIPERAZINEALKANAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 1987-06-03 EP disclosed
EP-0076530-B1 NOVEL N-(3-HYDROXY-4-PIPERIDINYL)BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-11 EP disclosed
EP-0076530-A2 Novel N-(3-hydroxy-4-piperidinyl)benzamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1983-04-13 EP disclosed
EP-0068544-A2 Novel N-aryl-piperazinealkanamides JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-05 EP 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-20040215025-A1 Method for the preparation of citalopram MAOB, HTR1F, MAOA PRCP 598/4885HTR2A 48/4885HTR2C 39/4885
US-20060183925-A1 Process for the preparation of a cyano-isobenzofuran HTR1F, CYP4F12, CYP4F3 PRCP 1641/4885HTR2A 90/4885HTR2C 107/4885

“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.