SCHEMBL7570002

SCHEMBL7570002

CCCCCCNC(=O)Nc1ccc(C(=O)N2CCC(Nc3ccc(CCN)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.57
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
S1PR1 P21453 1/20 0.47
ADRB3 P13945 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADRB1 P08588 1/20 0.47
EPHX1 P07099 5/20 0.46
EPHX2 P34913 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL7092327 0.91 S1PR1 (0.48) GHSRHDAC1HDAC2S1PR1ADRB3
Formic Acid SCHEMBL7570814 0.85 GHSR (0.54) GHSRS1PR1ADRB3ADRB1EPHX1
SCHEMBL7095127 0.84 ADRB3 (0.62) GHSRADRB3ADRB1EPHX2
Formic Acid SCHEMBL7095796 0.82 ADRB3 (0.61) GHSRADRB3ADRB1HTT
Formic Acid SCHEMBL7091575 0.81 GHSR (0.62) GHSRADRB3ADRB1
SCHEMBL7091469 0.80 ADRB3 (0.79) ADRB3MEN1KMT2AADRB1
SCHEMBL7094231 0.80 SPHK1 (0.41) ADRB3
SCHEMBL7091289 0.79 ADRB3 (0.53) GHSRS1PR1ADRB3MEN1KMT2A
Formic Acid SCHEMBL7571773 0.78 ADRB3 (0.56) GHSRADRB3ADRB1
SCHEMBL7091850 0.77 TPSAB1 (0.53) ADRB3ADRB1

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 2 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 disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 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 (1 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-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 GHSR 88/4885HDAC1 2086/4885HDAC2 2926/4885

“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.