SCHEMBL6074380

SCHEMBL6074380

COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N2CCC(=O)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
GFER P55789 1/20 0.61
GAA P10253 2/20 0.59
RAB9A P51151 1/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 4/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
CTSL P07711 1/20 0.52
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
HCRTR2 O43614 2/20 0.48
ATM Q13315 1/20 0.48
KMT2A Q03164 1/20 0.47
THRB P10828 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL6074806 0.83 TAS1R3 (0.57)
SCHEMBL6986486 0.81 TAS1R3 (0.49) RAB9AKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL31206887 0.81 GAA (0.76) POLBGAARAB9AKDM4EALDH1A1
SCHEMBL2461492 0.81 GAA (0.76) POLBGAARAB9AKDM4EALDH1A1
SCHEMBL1793176 0.81 GAA (0.76) POLBGAARAB9AKDM4EALDH1A1
SCHEMBL6075005 0.80 TDP1 (0.41) POLBGFERGAARAB9AALDH1A1
SCHEMBL26814850 0.79 RAB9A (0.70) POLBGAARAB9AALDH1A1LMNA
SCHEMBL26820570 0.79 GAA (0.73) POLBGAARAB9AALDH1A1LMNA
SCHEMBL4175147 0.79 GAA (0.73) POLBGAARAB9AALDH1A1LMNA
SCHEMBL13885677 0.79 GAA (0.73) POLBGAARAB9AALDH1A1LMNA

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 POLB 1964/4885GFER 3584/4885GAA 1992/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 POLB 1964/4885GFER 3584/4885GAA 1992/4885

“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.