SCHEMBL5906599

SCHEMBL5906599

CC(C)(C)OC(=O)N(Cc1ccccc1)c1ccc(B(O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.42
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
NR1H4 Q96RI1 1/20 0.42
TSPO P30536 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
STAT5B P51692 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
SCHEMBL7473118 0.85 LTB4R2 (0.49) AKT1CHRM2CHRM1CHRM3NR1H4
SCHEMBL19922245 0.84 AKT1 (0.47) AKT1CHRM2CHRM1CHRM3NR1H4
SCHEMBL31434524 0.84 AKT1 (0.44) AKT1CHRM2CHRM1CHRM3NR1H4
SCHEMBL4315970 0.84 PTGES (0.54) AKT1NR1H4HDAC3HDAC1HDAC2
SCHEMBL5906827 0.84 CHRM2 (0.50) AKT1CHRM2CHRM1CHRM3NR1H4
SCHEMBL23912387 0.84 NR1H4 (0.46) AKT1CHRM2CHRM1CHRM3NR1H4
SCHEMBL22042475 0.82 TRPM8 (0.45) AKT1CHRM2CHRM1CHRM3NR1H4
SCHEMBL4332066 0.81 HDAC1 (0.48) AKT1NR1H4HDAC3HDAC1HDAC2
SCHEMBL6804016 0.81 NR1H4 (0.49) AKT1CHRM2CHRM1CHRM3NR1H4
SCHEMBL20400856 0.80 TSPO (0.41) TSPOHDAC3HDAC1HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BAYER HEALTHCARE AG (DE) 2006-04-27 US disclosed
EP-1575919-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST Bayer HealthCare AG (DE) 2005-09-21 EP disclosed
WO-2004043926-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST BAYER HEALTHCARE AG (DE) 2004-05-27 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-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BPHL, HRH4, HRH2 AKT1 3837/4885CHRM2 147/4885CHRM1 172/4885

“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.