Sugi Predict

Sugi Predict / Compounds / SCHEMBL6414489

SCHEMBL6414489

SCHEMBL6414489

CN(C)CCC[C@](O)(c1ccc(F)cc1)c1ccc(Br)cc1CO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 3/20 0.45
▸ SLC6A4 P31645 3/20 0.38
▸ LMNA P02545 2/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL2074588 1.00 BCL2 (0.45) BCL2SLC6A4LMNASLC6A2CHRM2
Hydrochloric Acid SCHEMBL6404976 0.99 BCL2 (0.44) BCL2SLC6A4LMNASLC6A2CHRM2
SCHEMBL7380040 0.88 BCL2 (0.61) BCL2SLC6A4LMNASLC6A2CHRM2
SCHEMBL23333193 0.87 BCL2 (0.46) BCL2LMNACHRM2CHRM4CHRM5
SCHEMBL28444599 0.86 BCL2 (0.58) BCL2SLC6A4LMNACHRM2CHRM4
SCHEMBL7411077 0.86 BCL2 (0.45) BCL2SLC6A4LMNACHRM2CHRM4
SCHEMBL28313504 0.84 BCL2 (0.52) BCL2LMNACHRM2CHRM4CHRM5
SCHEMBL28313502 0.84 BCL2 (0.52) BCL2LMNACHRM2CHRM4CHRM5
SCHEMBL13984414 0.84 BCL2 (0.39) BCL2SLC6A4LMNASMN1; SMN2KDM4E
SCHEMBL13984416 0.84 BCL2 (0.39) BCL2SLC6A4LMNASMN1; SMN2KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088469-A1 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2009-04-02 — — US disclosed
US-20090088469-A1 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2009-04-02 — — US disclosed
WO-2008157271-A1 DEUTERIUM-ENRICHED ESCITALOPRAM PROTIA LLC (US) 2008-12-24 — — WO disclosed
US-20080312318-A1 DEUTERIUM-ENRICHED ESCITALOPRAM PROTIA, LLC (US) 2008-12-18 — — US disclosed
US-20050154051-A1 Method for the preparation of escitalopram H. LUNDBECK A/S (DK) 2005-07-14 — — 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-20080312318-A1 DEUTERIUM-ENRICHED ESCITALOPRAM SLC6A4, SLC6A3, SLC6A2 BCL2 4769/4885SLC6A4 1/4885LMNA 2442/4885
US-20090088469-A1 METHOD FOR THE PREPARATION OF CITALOPRAM MAOB, TPH2, MAOA BCL2 1711/4885SLC6A4 23/4885LMNA 3263/4885
US-20050154051-A1 Method for the preparation of escitalopram SLC6A4, TPH2, SLC6A3 BCL2 4322/4885SLC6A4 1/4885LMNA 2498/4885

“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.