SCHEMBL6479079

SCHEMBL6479079

CC(C)(C)OC(=O)N(C[C@H](O)COc1ccccc1)[C@H](CO)Cc1ccc(Oc2ncccc2C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
ROCK2 O75116 10/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
BACE1 P56817 1/20 0.39
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6480769 1.00 RAB9A (0.41) RAB9AROCK2ALDH1A1HTTKDM4E
SCHEMBL6480869 0.91 BACE1 (0.40) ALDH1A1BACE1
SCHEMBL6480871 0.91 BACE1 (0.40) ALDH1A1BACE1
SCHEMBL6478954 0.90 KMT2A (0.41) ALDH1A1HTTBACE1
SCHEMBL6491686 0.87 PTPN1 (0.40) ALDH1A1BACE1
SCHEMBL6488382 0.86 MEN1 (0.47) RAB9AALDH1A1KDM4EBACE1
SCHEMBL6488383 0.86 MEN1 (0.47) RAB9AALDH1A1KDM4EBACE1
SCHEMBL6538543 0.82 BACE1 (0.43) BACE1
SCHEMBL6540224 0.82 BACE1 (0.43) BACE1
SCHEMBL6538478 0.78 KMT2A (0.47) ALDH1A1BACE1TDP1

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 RAB9A 2313/4885ROCK2 1358/4885ALDH1A1 275/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 RAB9A 2825/4885ROCK2 1516/4885ALDH1A1 578/4885

“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.