Sugi Predict

Sugi Predict / Compounds / SCHEMBL6923491

SCHEMBL6923491

SCHEMBL6923491

CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(N)ccc21

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 8/20 0.84
▸ SLC6A2 P23975 2/20 0.72
▸ HTR2C P28335 2/20 0.72
▸ ADRA1A P35348 2/20 0.72
▸ HRH1 P35367 2/20 0.72
▸ OPRM1 P35372 2/20 0.72
▸ DRD3 P35462 2/20 0.72
▸ HTR2B P41595 2/20 0.72
▸ KCNH2 Q12809 2/20 0.72
▸ NPC1 O15118 1/20 0.72
▸ SLC22A1 O15245 1/20 0.72
▸ ALDH1A1 P00352 1/20 0.72
▸ CHRM2 P08172 1/20 0.72
▸ HTR1A P08908 1/20 0.72
▸ CHRM1 P11229 1/20 0.72
▸ DRD1 P21728 1/20 0.72
▸ ACHE P22303 1/20 0.72
▸ HRH2 P25021 1/20 0.72
▸ ADRA1D P25100 1/20 0.72
▸ HTR2A P28223 1/20 0.72

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
SCHEMBL13234952 1.00 SLC6A4 (0.84) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL141623 0.91 SLC6A4 (0.83) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL2615213 0.87 SLC6A4 (0.78) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL12780358 0.87 SLC6A4 (0.78) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL4621553 0.87 SLC6A4 (0.73) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL2865623 0.86 SLC6A4 (1.00) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL2868968 0.86 SLC6A4 (0.76) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL4169876 0.86 SLC6A4 (0.76) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL142583 0.86 SLC6A4 (1.00) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL2857332 0.86 SLC6A4 (1.00) SLC6A4SLC6A2HTR2CADRA1AHRH1

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
WO-2011084846-A1 QUATERNARY AMMONIUM SALT PRODRUGS ALKERMES, INC. (US) 2011-07-14 — — WO disclosed
US-20080269306-A1 Antidepressant Medicament Comprising Idazoxan and a Selective Serotonin Reuptake Inhibitor ALPHA 2 PHARMACEUTICA AB (SE) 2008-10-30 — — US disclosed
EP-1042310-B1 Method for the preparation of citalopram LUNDBECK & CO AS H (DK) 2002-07-31 — — EP disclosed
US-6258842-B1 REACTION OF GRIGNARD REAGENT OF 3-HALOGEN-N,N-DIMETHYLPROPYL AMINE AND RING CLOSURE H. LUNDBECK, A/S (DK) 2001-07-10 — — US disclosed
CN-1286687-A Method for preparation of citalopram LUNDBECK & CO AS H (DK) 2001-03-07 — — CN disclosed
EP-1042310-A2 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2000-10-11 — — EP disclosed
WO-1998019512-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 (1 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-20080269306-A1 Antidepressant Medicament Comprising Idazoxan and a Selective Serotonin Reuptake Inhibitor SLC6A4, SLC6A2, HTR5A SLC6A4 1/4885SLC6A2 2/4885HTR2C 4/4885

“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.