SCHEMBL7097355

SCHEMBL7097355

O=c1[nH]c2ccccc2n1OC[C@@H]1CO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 2/20 0.43
DAO P14920 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHFR P00374 2/20 0.40
HTR7 P34969 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL11373392 0.78 HPGD (0.44) MEN1CYP1A2KMT2AHPGDDAO
SCHEMBL4060187 0.77 DHFR (0.47) MEN1CYP1A2KMT2ALMNATDP1
SCHEMBL23116291 0.75 TP53 (0.36) LMNATDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL31285917 0.73 ALDH1A1 (0.53) MEN1CYP1A2KMT2AHPGDDAO
SCHEMBL10347428 0.73 ALDH1A1 (0.53) MEN1CYP1A2KMT2AHPGDDAO
SCHEMBL7328991 0.72 DHFR (0.41) KMT2ATDP1ALDH1A1TSHRMAPK1
SCHEMBL9593237 0.72 DHFR (0.41) KMT2ATDP1ALDH1A1TSHRMAPK1
SCHEMBL11468701 0.71 LMNA (0.54) MEN1CYP1A2KMT2AHPGDDAO
SCHEMBL15798127 0.70 SMN1; SMN2 (0.53) MEN1CYP1A2KMT2AHPGDDAO
SCHEMBL30293225 0.70 SMN1; SMN2 (0.53) MEN1CYP1A2KMT2AHPGDDAO

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 2931/4885CYP1A2 257/4885KMT2A 3613/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MEN1 2107/4885CYP1A2 296/4885KMT2A 4020/4885

“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.