SCHEMBL7095205

SCHEMBL7095205

COc1c(C(=O)N2CCC(Nc3ccc(CCN)cc3)CC2)sc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
PRSS12 P56730 1/20 0.40
SENP5 Q96HI0 1/20 0.39
SENP2 Q9HC62 1/20 0.39
SENP1 Q9P0U3 1/20 0.39
MLNR O43193 2/20 0.39
SIGLEC9 Q9Y336 2/20 0.38
GFER P55789 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
CYP3A4 P08684 1/20 0.37
NMT1 P30419 1/20 0.37

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
SCHEMBL7092082 0.89 ALDH1A1 (0.43) ALDH1A1PRSS12SENP5SENP2SENP1
SCHEMBL7095467 0.77 ADRB3 (0.50)
SCHEMBL7092111 0.77 ADRB3 (0.50)
SCHEMBL7571798 0.75 ADRB3 (0.51)
SCHEMBL7090658 0.74 SIGLEC9 (0.61) ALDH1A1MLNRSIGLEC9MAPTLMNA
Hydrochloric Acid SCHEMBL9305670 0.72 ALDH1A1 (0.49) ALDH1A1LMNAACACBACACA
SCHEMBL7096114 0.72 MAPK14 (0.57) MLNRGFERCYP3A4
SCHEMBL7092693 0.72 RBP4 (0.51) ALDH1A1MAPTLMNA
SCHEMBL7096580 0.72 PKM (0.53) LMNA
SCHEMBL7092162 0.69 TPSAB1 (0.51) MLNRMAPTCYP3A4

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 ALDH1A1 725/4885PRSS12 1360/4885SENP5 3991/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 ALDH1A1 524/4885PRSS12 1437/4885SENP5 3884/4885

“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.