Sugi Predict

Sugi Predict / Compounds / SCHEMBL7121327

SCHEMBL7121327

SCHEMBL7121327

Nc1ccc([C@@H](O)CN(CCc2ccccc2)C(=O)O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PIN1 Q13526 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RCE1 Q9Y256 1/20 0.36
▸ LPAR1 Q92633 2/20 0.36
▸ LPAR5 Q9H1C0 2/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL7120683 0.85 BACE1 (0.45) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL7116376 0.82 MEN1 (0.44) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL4460226 0.78 ADRB3 (0.45) LPAR1LPAR5
SCHEMBL4460219 0.78 ADRB3 (0.45) LPAR1LPAR5
SCHEMBL7116373 0.77 KDM4E (0.47) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL7116379 0.77 KDM4E (0.47) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL4465914 0.74 GLI1 (0.47) —
SCHEMBL4465920 0.74 GLI1 (0.47) —
SCHEMBL4479042 0.73 GLI1 (0.50) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL4479037 0.73 GLI1 (0.50) KMT2AMEN1NPC1RAB9ATDP1

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 KMT2A 2903/4885MEN1 1800/4885NPC1 854/4885
US-20020032222-A1 Azolidines as beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB3 KMT2A 2903/4885MEN1 1800/4885NPC1 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.