SCHEMBL2325573

SCHEMBL2325573

Cc1ccc(C(=O)CCN)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.64
▸ NPC1 O15118 3/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ GSK3B P49841 1/20 0.57
▸ CTNNB1 P35222 3/20 0.56
▸ WNT3A P56704 3/20 0.56
▸ PKM P14618 1/20 0.53
▸ CES2 O00748 2/20 0.50
▸ CES1 P23141 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HSD11B1 P28845 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PAX8 Q06710 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ THRB P10828 1/20 0.47

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
SCHEMBL16853371 0.89 L3MBTL1 (0.52) KMT2ANPC1RAB9AMEN1CES1
SCHEMBL10792888 0.88 KMT2A (0.60) KMT2ANPC1RAB9AMEN1GSK3B
SCHEMBL16552778 0.86 KMT2A (0.83) KMT2ANPC1RAB9AMEN1GSK3B
SCHEMBL10881407 0.86 KMT2A (0.58) KMT2ANPC1RAB9AMEN1GSK3B
SCHEMBL8269520 0.83 KMT2A (0.77) KMT2ANPC1RAB9AMEN1GSK3B
SCHEMBL13663714 0.83 KMT2A (0.64) KMT2ANPC1RAB9AMEN1GSK3B
SCHEMBL9419411 0.82 KMT2A (0.69) KMT2ANPC1RAB9AMEN1GSK3B
SCHEMBL4385605 0.82 GSK3B (0.61) KMT2ANPC1RAB9AMEN1GSK3B
SCHEMBL6820006 0.81 KMT2A (0.68) KMT2ANPC1RAB9AMEN1GSK3B
SCHEMBL8402203 0.80 KMT2A (0.67) KMT2ANPC1RAB9AMEN1GSK3B

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 — — US claimed
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 claimed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 — — US claimed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 — — WO claimed
EP-3319139-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR BATTERY, AND COMPOSITION Fujifilm Corporation (JP) 2018-05-09 — — EP disclosed
US-20180108492-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, AND COMPOSITION FUJIFILM CORPORATION (JP) 2018-04-19 — — US disclosed
US-20180108492-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, AND COMPOSITION FUJIFILM CORPORATION (JP) 2018-04-19 — — US disclosed
EP-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 — — EP disclosed
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
US-4151351-A PROSTAGLANDINS, ANTIINFLAMMATORY THE UPJOHN COMPANY (US) 1979-04-24 — — US disclosed
US-4131738-A 6-Hydroxy-PGE1 compounds THE UPJOHN COMPANY (US) 1978-12-26 — — US disclosed
US-4128713-A 6,7-Didehydro-PGI1 compounds THE UPJOHN COMPANY (US) 1978-12-05 — — US disclosed
US-4126744-A PROSTACYCLIN, MUSCLE STIMULANTS, PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-11-21 — — US disclosed
US-4112224-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1978-09-05 — — US disclosed
US-4109082-A PROSTACYCLIN ANALOGS; SMOOTH MUSCLE STIMULATORS THE UPJOHN COMPANY (US) 1978-08-22 — — US disclosed
US-4100192-A Inter-phenylene-PG amides THE UPJOHN COMPANY (US) 1978-07-11 — — US disclosed
US-4097489-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-06-27 — — 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 (3 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 KMT2A 3613/4885NPC1 1172/4885RAB9A 1800/4885
US-20180108492-A1 PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, AND COMPOSITION SCNN1A, CRY1, NR2E3 KMT2A 115/4885NPC1 2429/4885RAB9A 700/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 KMT2A 4020/4885NPC1 985/4885RAB9A 1702/4885

“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.

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