SCHEMBL6074620

SCHEMBL6074620

N=C1NC(=O)C(Cc2ccc(N3CCC(=O)CC3)cc2)S1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.58
MAPT P10636 5/20 0.42
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 5/20 0.39
CA2 P00918 1/20 0.39
PPARG P37231 3/20 0.38
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GLA P06280 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
FFAR1 O14842 1/20 0.35
PPARA Q07869 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 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
SCHEMBL6074524 0.87 MAPT (0.57) MAOBMAPTALDH1A1NPSR1HRH3
SCHEMBL9570622 0.82 MAOB (0.83) MAOBMAPTALDH1A1NPSR1LMNA
SCHEMBL1520158 0.75 MAOB (0.71) MAOBMAPTALDH1A1NPSR1LMNA
SCHEMBL5213619 0.75 MAOB (0.71) MAOBMAPTALDH1A1NPSR1LMNA
SCHEMBL6074864 0.75 ALDH1A1 (0.47) MAPTALDH1A1HRH3LMNAPPARG
SCHEMBL1520824 0.74 MAOB (1.00) MAOBMAPTALDH1A1NPSR1LMNA
SCHEMBL9570681 0.74 MAOB (0.69) MAOBMAPTALDH1A1NPSR1LMNA
SCHEMBL6074839 0.72 ADAMTS5 (0.47) HRH3L3MBTL1TP53BP1L3MBTL3
SCHEMBL11063959 0.71 HRH3 (0.56) MAOBALDH1A1HRH3CA2PPARG
SCHEMBL6074714 0.71 MCL1 (0.52) MAPTALDH1A1LMNAPPARGL3MBTL1

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-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
CN-1455771-A Cyclic amine phenyl Beta-3 adrenergic receptor agonists WYETH LTD (US) 2003-11-12 CN 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 MAOB 786/4885MAPT 565/4885ALDH1A1 1091/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MAOB 786/4885MAPT 565/4885ALDH1A1 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.