SCHEMBL7094090

SCHEMBL7094090

Nc1ccc(OCCNC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.53
▸ MTNR1B P49286 2/20 0.53
▸ NPC1 O15118 6/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ RAB9A P51151 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ TP53 P04637 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RECQL P46063 1/20 0.45

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
SCHEMBL23804013 0.95 MMP3 (0.50) MTNR1AMTNR1BNPC1MAPK1HSD17B10
SCHEMBL17821174 0.95 L3MBTL1 (0.54) MTNR1AMTNR1BNPC1MAPK1HSD17B10
SCHEMBL25349904 0.90 APP (0.51) MTNR1AMTNR1BNPC1MAPK1HSD17B10
SCHEMBL25232048 0.90 ALDH1A1 (0.49) NPC1MAPK1HSD17B10USP2ALOX15
SCHEMBL15939818 0.87 MTNR1A (0.53) MTNR1AMTNR1BNPC1MAPK1HSD17B10
SCHEMBL21099911 0.86 MTNR1A (0.51) MTNR1AMTNR1BNPC1MAPK1HSD17B10
SCHEMBL10354336 0.84 MTNR1A (0.73) MTNR1AMTNR1BNPC1MAPK1HSD17B10
SCHEMBL25268396 0.84 DRD4 (0.57) MTNR1AMTNR1BNPC1MAPK1HSD17B10
SCHEMBL21595955 0.84 NPC1 (0.73) MTNR1AMTNR1BNPC1MAPK1HSD17B10
SCHEMBL3446802 0.83 MTNR1A (0.73) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 — — US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 — — US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 — — US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 — — US disclosed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 — — WO disclosed
WO-2001077077-A1 SUBSTITUTED (HETERO)ARYL CARBOXAMIDE DERIVATIVES AS MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND APOLIPOPROTEIN B (APO B) SECRETION NOVARTIS AG (CH) 2001-10-18 — — WO disclosed
WO-1994018161-A1 SUBSTITUTED PHENYL SULFONAMIDES AS SELECTIVE β3 AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO., INC. (US) 1994-08-18 — — 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 MTNR1A 312/4885MTNR1B 144/4885NPC1 1172/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MTNR1A 266/4885MTNR1B 162/4885NPC1 985/4885

“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.

Send feedback