SCHEMBL7092777

SCHEMBL7092777

O=C(O)NCCOc1ccc(NC2CCNCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
EPHX2 P34913 1/20 0.43
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL7091610 0.83 CA12 (0.54) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL7096423 0.80 NPC1 (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7695976 0.80 MAPT (0.43) MAPTITGB3ITGA2BHSD17B10EPHX1
SCHEMBL7096041 0.78 LTA4H (0.61) MEN1KMT2AUSP2
SCHEMBL7091606 0.75 ITGB3 (0.43) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL7092097 0.75 ADRB3 (0.59) MAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL13582945 0.73 KDM4E (0.42) MEN1KMT2AMAPTITGB3ITGA2B
SCHEMBL7091338 0.73 ADRB1 (0.62) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL7042985 0.73 MAOB (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2233187 0.73 MAOB (0.43) ITGB3ITGA2B

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 5 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

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 MEN1 2931/4885KMT2A 3613/4885MAPT 1539/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MEN1 2107/4885KMT2A 4020/4885MAPT 1106/4885

“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.