SCHEMBL6074517

SCHEMBL6074517

O=C(CC(=O)N1CCC2(CC1)OCCO2)c1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 2/20 0.47
GSK3B P49841 1/20 0.46
ALDH1A1 P00352 5/20 0.45
GAA P10253 3/20 0.44
HPGD P15428 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
F12 P00748 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43

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
SCHEMBL7382087 0.83 POLB (0.48) KMT2AMEN1NPC1POLBGSK3B
SCHEMBL10670635 0.80 GSK3B (0.47) KMT2ASMN1; SMN2RAB9AHSD17B10POLB
SCHEMBL6134959 0.80 POLB (0.50) NPC1RAB9AMAPK1POLBALDH1A1
SCHEMBL6074502 0.79 MAPT (0.54) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL1663834 0.79 KDM4E (0.53) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL15238296 0.77 ALDH1A1 (0.57) KMT2ASMN1; SMN2MEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL6132612 0.76 KDM4E (0.50) SMN1; SMN2NPC1RAB9APOLBGSK3B
SCHEMBL6132593 0.75 GFER (0.59) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL1743474 0.74 MEN1 (0.55) KMT2ASMN1; SMN2MEN1RAB9AMAPK1
SCHEMBL6132298 0.73 MEN1 (0.54) KMT2ASMN1; SMN2MEN1RAB9AMAPK1

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 4 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
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

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 KMT2A 3638/4885SMN1; SMN2 3999/4885MEN1 2224/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 KMT2A 3638/4885SMN1; SMN2 3999/4885MEN1 2224/4885

“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.