SCHEMBL6487266

SCHEMBL6487266

Nc1cc(OC[C@@H](O)CN(Cc2ccccc2)[C@H](CO)Cc2ccc(Oc3ccccn3)cc2)ccc1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
PSEN1 P49768 1/20 0.37
ADAMTS4 O75173 1/20 0.36
ALDH1A1 P00352 4/20 0.36
ABCB1 P08183 1/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
LPAR1 Q92633 2/20 0.32
LPAR5 Q9H1C0 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32

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
SCHEMBL7040475 0.91 ALDH1A1 (0.40) ALDH1A1ABCB1MAPK1GAAMAPT
SCHEMBL7176602 0.91 ALDH1A1 (0.40) ALDH1A1ABCB1MAPK1GAAMAPT
SCHEMBL7039495 0.90 ALDH1A1 (0.40) ALOX5ALDH1A1ABCB1MAPK1GAA
SCHEMBL6493560 0.88 ADAMTS4 (0.37) PTGESALOX5PSEN1ADAMTS4GAA
SCHEMBL6493557 0.88 ADAMTS4 (0.37) PTGESALOX5PSEN1ADAMTS4GAA
SCHEMBL7044393 0.88 ALDH1A1 (0.44) ALDH1A1ABCB1MAPK1GAAMAPT
SCHEMBL7040127 0.85 GAA (0.42) ALDH1A1ABCB1MAPK1GAAMAPT
SCHEMBL7042799 0.84 POLB (0.43) ALDH1A1ABCB1MAPK1GAAMAPT
SCHEMBL6539034 0.79 MAOB (0.48) ALOX5ALDH1A1MAPK1GAAMAPT
SCHEMBL7042715 0.79 OPRD1 (0.40) ALDH1A1ABCB1MAPK1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 PTGES 1451/4885ALOX5 1092/4885PSEN1 4270/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 PTGES 1337/4885ALOX5 1209/4885PSEN1 4204/4885

“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.