SCHEMBL6653645

SCHEMBL6653645

O=C(Oc1ccccc1)N1CC[C@H](c2ccc(F)cc2)[C@@H](CO)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
GAA P10253 2/20 0.48
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FAAH O00519 4/20 0.46
NPC1 O15118 2/20 0.45
PDE4B Q07343 1/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL7025914 1.00 ALOX15 (0.50) ALOX15GAARAB9AALDH1A1MAPT
SCHEMBL6652430 1.00 ALOX15 (0.50) ALOX15GAARAB9AALDH1A1MAPT
SCHEMBL1105737 0.86 KMT2A (0.48) GAAALDH1A1MAPTSMN1; SMN2FAAH
SCHEMBL1096860 0.86 KMT2A (0.48) GAAALDH1A1MAPTSMN1; SMN2FAAH
SCHEMBL6696906 0.84 SMN1; SMN2 (0.52) GAARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL6850277 0.84 SMN1; SMN2 (0.52) GAARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL6689935 0.84 SMN1; SMN2 (0.52) GAARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL6850331 0.84 SMN1; SMN2 (0.52) GAARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL6696900 0.84 SMN1; SMN2 (0.52) GAARAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL6652212 0.84 ALOX15 (0.44) ALOX15GAARAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167163-A1 Optically pure paroxetine precursors ASTUR-PHARMA, S.A. (ES) 2004-08-26 US disclosed
EP-1431287-A1 Optically pure paroxetine precursos Astur-Pharma, S.A. (ES) 2004-06-23 EP disclosed
EP-1283200-A2 Optically pure paroxetine precursors Astur-Pharma, S.A. (ES) 2003-02-12 EP disclosed
US-20030018048-A1 Optically pure paroxetine precursors ASTUR PHARMA 2003-01-23 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 (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-20040167163-A1 Optically pure paroxetine precursors CYP3A5, TPH2, MAOA ALOX15 886/4885GAA 299/4885RAB9A 2843/4885
US-20030018048-A1 Optically pure paroxetine precursors TPH1, TPH2, MAOB ALOX15 917/4885GAA 526/4885RAB9A 1359/4885

“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.