SCHEMBL7116376

SCHEMBL7116376

Nc1ccc([C@@H](O)CN(CCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 4/20 0.44
CNR2 P34972 1/20 0.43
MAOA P21397 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
RCE1 Q9Y256 1/20 0.40
AOC3 Q16853 1/20 0.40
PIN1 Q13526 1/20 0.39
BACE1 P56817 1/20 0.39
ALOX5 P09917 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL7116373 0.94 KDM4E (0.47) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL7116379 0.94 KDM4E (0.47) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL7122414 0.83 BACE1 (0.44) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL7121327 0.82 KMT2A (0.42) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL4479037 0.82 GLI1 (0.50) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL4479042 0.82 GLI1 (0.50) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL4460219 0.81 ADRB3 (0.45)
SCHEMBL4460226 0.81 ADRB3 (0.45)
SCHEMBL4584835 0.81 MEN1 (0.48) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL4584829 0.81 MEN1 (0.48) MEN1KMT2ANPC1RAB9ATDP1

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-6569873-B2 Treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia, atherosclerosis, gastrointestinal disorders, neurogenetic inflammation, glaucoma, ocular hypertension and frequent urination WYETH 2003-05-27 US disclosed
US-20030055079-A1 Azolidines as beta-3 adrenergic receptor agonists WYETH 2003-03-20 US disclosed
US-6465501-B2 USEFUL IN TREATING OR INHIBITING METABOLIC DISORDERS RELATED TO INSULIN RESISTANCE OR HYPERGLYCEMIA, ATHEROSCLEROSIS, GASTROINTESTINAL DISORDERS, NEUROGENETIC INFLAMMATION, GLAUCOMA, OCULAR HYPERTENSION AND INCONTINENCE WYETH 2002-10-15 US disclosed
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-14 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-20030055079-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 MEN1 1800/4885KMT2A 2903/4885NPC1 854/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 MEN1 1800/4885KMT2A 2903/4885NPC1 854/4885

“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.