SCHEMBL7095485

SCHEMBL7095485

COC(Cc1ccc(NC2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1)OC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
ALDH1A1 P00352 5/20 0.48
CCR6 P51684 2/20 0.48
MAPT P10636 2/20 0.44
GFER P55789 1/20 0.44
THRB P10828 1/20 0.44
USP2 O75604 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL7093947 0.74 ADRB3 (0.56) CCR6KMT2A
SCHEMBL7569465 0.72 CCR6 (0.43) LMNAALDH1A1CCR6MAPTSMN1; SMN2
SCHEMBL30099109 0.71 KMT2A (0.77) LMNAMAPTTHRBUSP2KMT2A
SCHEMBL16110256 0.71 CCR6 (0.74) LMNAALDH1A1CCR6MAPTMAPK1
SCHEMBL10445165 0.69 USP2 (0.77) LMNAALDH1A1MAPTUSP2SMN1; SMN2
SCHEMBL7131785 0.69 MAPT (0.58) LMNAALDH1A1MAPTGFERUSP2
SCHEMBL16311216 0.69 ALDH1A1 (0.58) LMNAALDH1A1CCR6MAPTSMN1; SMN2
SCHEMBL7094586 0.68 CA12 (0.64) LMNAALDH1A1CCR6SMN1; SMN2KMT2A
SCHEMBL2831624 0.68 MAPT (0.63) LMNAALDH1A1MAPTGFERUSP2
SCHEMBL7095012 0.68 HTR6 (0.40) ALDH1A1SMN1; SMN2

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 4 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

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 LMNA 2367/4885ALDH1A1 725/4885CCR6 3035/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 LMNA 1884/4885ALDH1A1 524/4885CCR6 3060/4885

“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.