SCHEMBL7092207

SCHEMBL7092207

CN(C(=O)CCN)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
POLQ O75417 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
AOC3 Q16853 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 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
SCHEMBL7500313 0.85 AOC3 (0.50) DRD4MEN1KMT2ACHRNB2CHRNB4
Hydrochloric Acid SCHEMBL9868189 0.84 AOC3 (0.51) DRD4MEN1KMT2ACHRNB2CHRNB4
SCHEMBL22170065 0.84 DRD4 (0.44) DRD4MEN1KMT2ACHRNB2CHRNB4
SCHEMBL1114865 0.82 DRD4 (0.50) DRD4MEN1KMT2ACHRNB2CHRNB4
SCHEMBL14853482 0.81 ALDH1A1 (0.50) DRD4MEN1KMT2ACHRNB2CHRNB4
SCHEMBL22445695 0.81 MLYCD (0.46) KMT2AALDH1A1AOC3MLYCDL3MBTL1
Benzene SCHEMBL7811300 0.80 DRD4 (0.46) DRD4MEN1KMT2ACHRNB2CHRNB4
SCHEMBL5351542 0.79 ALDH1A1 (0.58) DRD4MEN1KMT2ACHRNB2CHRNB4
SCHEMBL11343357 0.79 DRD4 (0.47) DRD4MEN1KMT2ACHRNB2CHRNB4
SCHEMBL12679927 0.79 DRD4 (0.42) DRD4MEN1KMT2ACHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 DRD4 1522/4885MEN1 2931/4885KMT2A 3613/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 DRD4 1482/4885MEN1 2107/4885KMT2A 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.