SCHEMBL6540775

SCHEMBL6540775

OC[C@H](Cc1ccc(I)cc1)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR1 P21554 1/20 0.41
FPR2 P25090 3/20 0.40
TRPA1 O75762 1/20 0.40
DPP7 Q9UHL4 2/20 0.39
EPHX1 P07099 1/20 0.39
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL6540788 1.00 SIGMAR1 (0.46) SIGMAR1CYP3A4MAPK1KDM4EMEN1
SCHEMBL23023068 0.90 SIGMAR1 (0.55) SIGMAR1CYP3A4MAPK1KDM4EMEN1
SCHEMBL1823141 0.90 SIGMAR1 (0.55) SIGMAR1CYP3A4MAPK1KDM4EMEN1
SCHEMBL7041284 0.90 SIGMAR1 (0.55) SIGMAR1CYP3A4MAPK1KDM4EMEN1
SCHEMBL28653629 0.85 SIGMAR1 (0.51) SIGMAR1CYP3A4MAPK1KDM4EMEN1
SCHEMBL6487403 0.85 CNR1 (0.56) SIGMAR1CYP3A4MAPK1KDM4EMEN1
SCHEMBL6487410 0.85 CNR1 (0.56) SIGMAR1CYP3A4MAPK1KDM4EMEN1
SCHEMBL14733411 0.85 SIGMAR1 (0.51) SIGMAR1CYP3A4MAPK1KDM4EMEN1
SCHEMBL28653631 0.85 SIGMAR1 (0.51) SIGMAR1CYP3A4MAPK1KDM4EMEN1
SCHEMBL10877160 0.84 SMN1; SMN2 (0.51) SIGMAR1CYP3A4MAPK1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 SIGMAR1 975/4885CYP3A4 4197/4885MAPK1 1158/4885

“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.