SCHEMBL6074963

SCHEMBL6074963

Nc1ccc(N2CC(N(Cc3ccccc3)C[C@H](O)COc3ccc(OCc4ccccc4)cc3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 7/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PRMT5 O14744 4/20 0.43
WDR77 Q9BQA1 4/20 0.43
ADRB3 P13945 1/20 0.43
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
HTR7 P34969 1/20 0.38
ACACB O00763 1/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 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
SCHEMBL6074807 0.85 POLB (0.45) GAAKMT2AMAPTRAB9AL3MBTL1
SCHEMBL6074664 0.79 AR (0.47) SMN1; SMN2ADRB3POLBLMNA
SCHEMBL6074962 0.78 ADRB2 (0.49) L3MBTL1SMN1; SMN2TSHRHSD17B10ADRB3
SCHEMBL6075083 0.77 GHSR (0.50) KMT2A
SCHEMBL6539034 0.71 MAOB (0.48) GAAKMT2AMAPTRAB9AL3MBTL1
SCHEMBL5144084 0.70 PRMT5 (0.46) GAAMAPTRAB9ATSHRHSD17B10
SCHEMBL20875967 0.70 MAOB (0.54) GAAMAPTRAB9AL3MBTL1MAOA
SCHEMBL7111923 0.70 MAPT (0.50) GAAMAPTRAB9AL3MBTL1MAOA
SCHEMBL5145499 0.69 PRMT5 (0.45) GAAMAPTTSHRPRMT5WDR77
SCHEMBL10492673 0.69 RAB9A (0.66) GAAKMT2AMAPTRAB9AL3MBTL1

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-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 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 (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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 GAA 1992/4885KMT2A 3638/4885MAPT 565/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 GAA 1992/4885KMT2A 3638/4885MAPT 565/4885

“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.