SCHEMBL6074491

SCHEMBL6074491

CCC(C)OC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 9/20 0.43
ADRB3 P13945 1/20 0.41
DHFR P00374 1/20 0.39
MTR Q99707 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
SMYD3 Q9H7B4 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL6075005 0.81 TDP1 (0.41) P2RY12ADRB3TDP1LMNAHSD17B10
SCHEMBL2251591 0.80 ADAMTS5 (0.56) P2RY12TDP1LMNAHSD17B10CA2
SCHEMBL6074471 0.80 L3MBTL1 (0.50) P2RY12DHFRHSD17B10
SCHEMBL6986486 0.77 TAS1R3 (0.49) HSD17B10SMYD3
SCHEMBL6074820 0.75 TAS1R3 (0.49) HSD17B10SMYD3
SCHEMBL27580966 0.75 TAS1R3 (0.49) HSD17B10SMYD3
SCHEMBL6074806 0.75 TAS1R3 (0.57)
SCHEMBL27580906 0.74 ACE (0.45) P2RY12TDP1
SCHEMBL6074992 0.74 ACE (0.45) P2RY12TDP1
SCHEMBL6075180 0.74 SMYD3 (0.41) LMNAHSD17B10SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 US disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 US disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 P2RY12 833/4885ADRB3 2/4885DHFR 3177/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 P2RY12 833/4885ADRB3 2/4885DHFR 3177/4885

“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.