SCHEMBL6074155

SCHEMBL6074155

O=[N+]([O-])c1ccccc1N1CCC2(CC1)OCCO2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.57
GAA P10253 2/20 0.57
ALDH1A1 P00352 9/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
HTT P42858 3/20 0.52
LMNA P02545 3/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 3/20 0.49
MITF O75030 1/20 0.47
MAPK1 P28482 1/20 0.47
CCR6 P51684 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR1A P08908 1/20 0.46
CTSB P07858 1/20 0.46
GRM5 P41594 1/20 0.45
HSD11B1 P28845 1/20 0.44

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
SCHEMBL29948580 1.00 SMN1; SMN2 (0.57) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL4555801 0.81 SMN1; SMN2 (0.53) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL1274938 0.81 HTT (0.73) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL5095834 0.80 HTT (0.56) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL30779614 0.80 CTSB (0.68) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL2206983 0.80 CTSB (0.68) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL23043706 0.79 HTR1A (0.60) SMN1; SMN2GAAALDH1A1KMT2AHTT
SCHEMBL3799173 0.77 CTSB (0.65) SMN1; SMN2GAAALDH1A1KMT2AHTT
SCHEMBL29937743 0.77 CTSB (0.65) SMN1; SMN2GAAALDH1A1KMT2AHTT
SCHEMBL7118705 0.77 HTT (0.64) SMN1; SMN2GAAALDH1A1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
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 SMN1; SMN2 3999/4885GAA 1992/4885ALDH1A1 1091/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 SMN1; SMN2 3999/4885GAA 1992/4885ALDH1A1 1091/4885

“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.