SCHEMBL6074960

SCHEMBL6074960

CCOC(=O)C(=Cc1ccc(N2CCC3(CC2)OCCO3)cc1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.50
MEN1 O00255 10/20 0.50
KMT2A Q03164 10/20 0.50
ALDH1A1 P00352 8/20 0.50
LMNA P02545 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50

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
SCHEMBL6074274 0.81 CA12 (0.51) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6075174 0.81 CA12 (0.51) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6074965 0.80 ALDH1A1 (0.40) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL23387381 0.80 LIPE (0.49) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6074724 0.79 MEN1 (0.56) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1743474 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1NPSR1MAPK1
SCHEMBL6132298 0.78 MEN1 (0.54) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1068265 0.75 MEN1 (0.85) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL2425881 0.74 KMT2A (0.50) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL17543216 0.74 MAPT (0.49) MAPTMEN1KMT2AALDH1A1MAPK1

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 MAPT 565/4885MEN1 2224/4885KMT2A 3638/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MAPT 565/4885MEN1 2224/4885KMT2A 3638/4885

“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.