SCHEMBL7090658

SCHEMBL7090658

Cc1ccsc1C(=O)N1CCC(Nc2ccc(CCN)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGLEC9 Q9Y336 2/20 0.61
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.41
USP2 O75604 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.40
MLNR O43193 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
SCHEMBL7091607 0.89 SIGLEC9 (0.58) SIGLEC9CA12CA1CA2CA7
SCHEMBL7091451 0.82 SIGLEC9 (0.45) SIGLEC9CA12CA1CA2CA7
SCHEMBL7091421 0.81 CA12 (0.53) SIGLEC9CA12CA1CA2CA7
SCHEMBL7092219 0.77 ADRB3 (0.72)
SCHEMBL7091774 0.76 ADRB1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL7092162 0.75 TPSAB1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7095205 0.74 ALDH1A1 (0.41) SIGLEC9ALDH1A1LMNAMAPTMLNR
SCHEMBL3764389 0.73 CA12 (0.59) SIGLEC9CA12CA1CA2CA7
Formic Acid SCHEMBL7092211 0.73 ADRB3 (0.54) CA12CA1CA2CA7CA9
SCHEMBL7094585 0.73 SIGLEC9 (0.56) SIGLEC9CA12CA1CA2CA7

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 SIGLEC9 2982/4885CA12 4814/4885CA1 4874/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 SIGLEC9 3247/4885CA12 4838/4885CA1 4850/4885

“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.