SCHEMBL4479061

SCHEMBL4479061

O=C(O)N(CCCc1ccc(I)cc1)C[C@@H](O)c1ccc(Cl)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
GLP1R P43220 1/20 0.34
GCGR P47871 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
CYP2D6 P10635 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
PMP22 Q01453 1/20 0.33
HIF1A Q16665 1/20 0.33
SLCO1B3 Q9NPD5 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
SCHEMBL4479057 1.00 FFAR1 (0.36) FFAR1GLP1RGCGRSMN1; SMN2LMNA
SCHEMBL4478531 0.84 FFAR1 (0.38) FFAR1GLP1RGCGRSMN1; SMN2LMNA
SCHEMBL4478536 0.84 FFAR1 (0.38) FFAR1GLP1RGCGRSMN1; SMN2LMNA
SCHEMBL12610017 0.81 NAPRT (0.37) FFAR1GLP1RGCGRSMN1; SMN2ALDH1A1
SCHEMBL12610018 0.81 NAPRT (0.37) FFAR1GLP1RGCGRSMN1; SMN2ALDH1A1
SCHEMBL4462043 0.77 MEN1 (0.37) FFAR1SMN1; SMN2LMNAALDH1A1RAB9A
SCHEMBL4462046 0.77 MEN1 (0.37) FFAR1SMN1; SMN2LMNAALDH1A1RAB9A
SCHEMBL4464398 0.74 ADRB2 (0.44) ADRB1ADRB3
SCHEMBL4460136 0.74 ADRB1 (0.42) SMN1; SMN2LMNAALDH1A1RAB9AMAPT
SCHEMBL6805619 0.73 ADRB3 (0.45) ADRB1ADRB3

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-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 FFAR1 580/4885GLP1R 870/4885GCGR 2039/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 FFAR1 977/4885GLP1R 1042/4885GCGR 1866/4885

“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.